1.0 2010-04-08 22:05:16 UTC 2025-11-18 22:35:25 UTC FDB002166 Pelletierine (±)-pelletierine, also known as (-)-isomer of isopelletierine or (+-)-1-(2-piperidinyl)-2-propanone, is a member of the class of compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms (±)-pelletierine is soluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-pelletierine can be found in pomegranate, which makes (±)-pelletierine a potential biomarker for the consumption of this food product. 1-(2-Piperidinyl)-2-propanone, 9CI 2-Acetonylpiperidine 8-Methylnorlobelone Isopelletierine C8H15NO 141.2108 141.115364107 1-(piperidin-2-yl)propan-2-one pelletierine 4396-01-4 CC(=O)CC1CCCCN1 InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3 JEIZLWNUBXHADF-UHFFFAOYSA-N belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. Piperidines Organic compounds Organoheterocyclic compounds Piperidines Aliphatic heteromonocyclic compounds Azacyclic compounds Beta-amino ketones Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aliphatic heteromonocyclic compound Amine Azacycle Beta-aminoketone Carbonyl group Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperidine Secondary aliphatic amine Secondary amine Piperidine alkaloids citraconoyl group logp 0.68 ALOGPS logs -0.87 ALOGPS solubility 1.90e+01 g/l ALOGPS logp 0.76 ChemAxon pka_strongest_acidic 18.51 ChemAxon pka_strongest_basic 9.86 ChemAxon iupac 1-(piperidin-2-yl)propan-2-one ChemAxon average_mass 141.2108 ChemAxon mono_mass 141.115364107 ChemAxon smiles CC(=O)CC1CCCCN1 ChemAxon formula C8H15NO ChemAxon inchi InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3 ChemAxon inchikey JEIZLWNUBXHADF-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 40.84 ChemAxon polarizability 16.46 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22063 Specdb::CMs 168157 Specdb::NmrOneD 17122 Specdb::NmrOneD 17123 Specdb::NmrOneD 17124 Specdb::NmrOneD 17125 Specdb::NmrOneD 17126 Specdb::NmrOneD 17127 Specdb::NmrOneD 17128 Specdb::NmrOneD 17129 Specdb::NmrOneD 17130 Specdb::NmrOneD 17131 Specdb::NmrOneD 17132 Specdb::NmrOneD 17133 Specdb::NmrOneD 17134 Specdb::NmrOneD 17135 Specdb::NmrOneD 17136 Specdb::NmrOneD 17137 Specdb::NmrOneD 17138 Specdb::NmrOneD 17139 Specdb::NmrOneD 17140 Specdb::NmrOneD 17141 Specdb::MsMs 93402 Specdb::MsMs 93403 Specdb::MsMs 93404 Specdb::MsMs 157161 Specdb::MsMs 157162 Specdb::MsMs 157163 Specdb::MsMs 2812790 Specdb::MsMs 2812791 Specdb::MsMs 2812792 Specdb::MsMs 2895816 Specdb::MsMs 2895817 Specdb::MsMs 2895818 HMDB0030325 Pomegranate Type 1 specific Punica granatum 22663 Amblyopic 47 Anti-helmintic 72 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Central nervous system depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Cestodicide 792 Emetic 899 Hypertensive 1007 Laxative 1065 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. Mydriatic 1129 Agent that dilates the pupil. Used in eye diseases and to facilitate eye examination. It may be either a sympathomimetic or parasympatholytic. The latter cause cycloplegia or paralysis of accommodation at high doses and may precipitate glaucoma. Oxyuricide 1186 Paralytic 1196 Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Taenicide 1346 Vertiginous 1425