1.0 2010-04-08 22:13:50 UTC 2019-11-26 03:16:26 UTC FDB018637 Coumaperine Isolated from the fruits of pepper (Piper nigrum) (Piperaceae). Coumaperine is found in herbs and spices. 1-[5-(4-Hydroxyphenyl)-1-oxo-2,4-pentadienyl]piperidine, 9CI 5-(4-Hydroxyphenyl)-2,4-pentadienoic acid piperidide N-[5-(4-Hydroxyphenyl)-2,4-pentadienoyl]piperidine C16H19NO2 257.3276 257.141578857 (2E,4Z)-5-(4-hydroxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one (2E,4Z)-5-(4-hydroxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one 76733-91-0 OC1=CC=C(\C=C/C=C/C(=O)N2CCCCC2)C=C1 InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2-,7-3+ QDAARMDLSCDBFU-MFDSWNTHSA-N belongs to the class of organic compounds known as n-acylpiperidines. N-acylpiperidines are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of a piperidine. N-acylpiperidines Organic compounds Organoheterocyclic compounds Piperidines N-acylpiperidines Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Styrenes Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Aromatic heteromonocyclic compound Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Monocyclic benzene moiety N-acyl-piperidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Styrene Tertiary carboxylic acid amide logp 3.52 ALOGPS logs -3.04 ALOGPS solubility 2.36e-01 g/l ALOGPS melting_point Mp 199.5-200.5° logp 2.85 ChemAxon pka_strongest_acidic 9.51 ChemAxon pka_strongest_basic 2.37 ChemAxon iupac (2E,4Z)-5-(4-hydroxyphenyl)-1-(piperidin-1-yl)penta-2,4-dien-1-one ChemAxon average_mass 257.3276 ChemAxon mono_mass 257.141578857 ChemAxon smiles OC1=CC=C(\C=C/C=C/C(=O)N2CCCCC2)C=C1 ChemAxon formula C16H19NO2 ChemAxon inchi InChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2-,7-3+ ChemAxon inchikey QDAARMDLSCDBFU-MFDSWNTHSA-N ChemAxon polar_surface_area 40.54 ChemAxon refractivity 79.12 ChemAxon polarizability 29.36 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17555 Specdb::CMs 46271 Specdb::CMs 133832 Specdb::CMs 141566 Specdb::MsMs 48012 Specdb::MsMs 48013 Specdb::MsMs 48014 Specdb::MsMs 131157 Specdb::MsMs 131158 Specdb::MsMs 131159 Specdb::MsMs 2349640 Specdb::MsMs 2349641 Specdb::MsMs 2349642 Specdb::MsMs 2589157 Specdb::MsMs 2589158 Specdb::MsMs 2589159 HMDB39125 #<Reference:0x000055ce317c1438> Herbs and Spices Unknown generic