Record Information
Version1.0
Creation date2010-04-08 22:10:02 UTC
Update date2018-05-28 23:34:50 UTC
Primary IDFDB012189
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePiperazine
DescriptionPiperazine, also known as diethylenediamine or vermizine, belongs to the class of organic compounds known as piperazines. Piperazines are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms. Piperazine is a very strong basic compound (based on its pKa). Piperazine is an ammoniacal tasting compound.
CAS Number110-85-0
Structure
Thumb
Synonyms
SynonymSource
DiethylenediamineChEBI
VermizineChEBI
DiethyleneimineHMDB
Fluphenazine dihydrochlorideHMDB
HexahydropyrazineHMDB
PiperazinHMDB
Piperazine hexahydrateHMDB
Piperazine hydrateHMDB
1,4-PiperazineHMDB
PripsenHMDB
Piperazine diacetateHMDB
Piperazine phosphate (1:1)HMDB
Piperazine sulfateHMDB
Piperazine tartrate, (R-(r*,r*))-isomerHMDB
Piperazine hydrochlorideHMDB
Piperazine phosphateHMDB
Piperazine saltHMDB
Piperazine tartrate (1:1), (R-(r*,r*))-isomerHMDB
Piperazine dihydrochlorideHMDB
Piperazine hydrobromideHMDB
Piperazine monohydrochlorideHMDB
Piperazinium oleateHMDB
1,4 PiperazineHMDB
Piperazine phosphate anhydrousHMDB
Piperazine tartrateHMDB
1,4 DiazacyclohexaneHMDB
1,4-DiazacyclohexaneHMDB
Diethylenediamine (obsol.)db_source
Vermexdb_source
Predicted Properties
PropertyValueSource
Water Solubility371 g/LALOGPS
logP-1.2ALOGPS
logP-0.73ChemAxon
logS0.63ALOGPS
pKa (Strongest Basic)9.56ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area24.06 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity25.45 m³·mol⁻¹ChemAxon
Polarizability9.97 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC4H10N2
IUPAC namepiperazine
InChI IdentifierInChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
InChI KeyGLUUGHFHXGJENI-UHFFFAOYSA-N
Isomeric SMILESC1CNCCN1
Average Molecular Weight86.1356
Monoisotopic Molecular Weight86.08439833
Classification
Description Belongs to the class of organic compounds known as piperazines. Piperazines are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazinanes
Sub ClassPiperazines
Direct ParentPiperazines
Alternative Parents
Substituents
  • Piperazine
  • Azacycle
  • Secondary amine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 55.78%; H 11.70%; N 32.52%DFC
Melting PointNot Available
Boiling PointBp 146°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSPiperazine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-002u-9000000000-fe608039ce37f41f0074Spectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-000i-9000000000-66908ddfe69d5ab2d477Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-000i-9000000000-044d64bffabbb2fef60dSpectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0006-9000000000-e8dc1b97c0a6a42c758aSpectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0006-9000000000-f2155d32a2f87a5d94d4Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0006-9000000000-1d40ce3733d7fba748f0Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-9000000000-30cb9df5b98e3de11c25Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-9000000000-53fbd2cde978a20bcadfSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-b4c09986ae88107e9502Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9000000000-d4c59a30517a103ac1a8Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-38be848b289304d565fbSpectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000f-9000000000-bd7ae151b29cee31f3adSpectrum
NMRNot Available
ChemSpider ID13835459
ChEMBL IDCHEMBL1412
KEGG Compound IDC07973
Pubchem Compound ID4837
Pubchem Substance IDNot Available
ChEBI ID28568
Phenol-Explorer IDNot Available
DrugBank IDDB00592
HMDB IDHMDB14730
CRC / DFC (Dictionary of Food Compounds) IDHDZ28-A:HDZ28-A
EAFUS ID3051
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDPZE
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1274981
SuperScent IDNot Available
Wikipedia IDPiperazine
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
ammoniacal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference