1.0 2010-04-08 22:07:17 UTC 2019-11-26 03:01:17 UTC FDB006758 2-(2'-Propenyl)-delta-1-piperideine 2-(2'-propenyl)-delta-1-piperideine is a member of the class of compounds known as tetrahydropyridines. Tetrahydropyridines are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. 2-(2'-propenyl)-delta-1-piperideine is practically insoluble (in water) and a very strong basic compound (based on its pKa). 2-(2'-propenyl)-delta-1-piperideine can be found in pomegranate, which makes 2-(2'-propenyl)-delta-1-piperideine a potential biomarker for the consumption of this food product. C8H13N 123.1955 123.104799421 6-(prop-2-en-1-yl)-2,3,4,5-tetrahydropyridine 2-(prop-2-en-1-yl)-3,4,5,6-tetrahydropyridine C=CCC1=NCCCC1 InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2H,1,3-7H2 XWYDITRQXWMULZ-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. Tetrahydropyridines Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Aliphatic heteromonocyclic compounds Azacyclic compounds Hydrocarbon derivatives Ketimines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic heteromonocyclic compound Azacycle Hydrocarbon derivative Imine Ketimine Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Tetrahydropyridine logp 2.86 ALOGPS logs -2.97 ALOGPS solubility 1.32e-01 g/l ALOGPS logp 1.86 ChemAxon pka_strongest_basic 7.97 ChemAxon iupac 6-(prop-2-en-1-yl)-2,3,4,5-tetrahydropyridine ChemAxon average_mass 123.1955 ChemAxon mono_mass 123.104799421 ChemAxon smiles C=CCC1=NCCCC1 ChemAxon formula C8H13N ChemAxon inchi InChI=1S/C8H13N/c1-2-5-8-6-3-4-7-9-8/h2H,1,3-7H2 ChemAxon inchikey XWYDITRQXWMULZ-UHFFFAOYSA-N ChemAxon polar_surface_area 12.36 ChemAxon refractivity 39.92 ChemAxon polarizability 15.02 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82347 Specdb::MsMs 82348 Specdb::MsMs 82349 Specdb::MsMs 143685 Specdb::MsMs 143686 Specdb::MsMs 143687 Specdb::MsMs 3603278 Specdb::MsMs 3603279 Specdb::MsMs 3603280 Specdb::MsMs 3603281 Specdb::MsMs 3603282 Specdb::MsMs 3603283 Pomegranate Type 1 specific Punica granatum 22663