1.0 2010-04-08 22:15:04 UTC 2019-11-26 03:19:01 UTC FDB020502 Dihydroferuperine Alkaloid from pepper (Piper nigrum) (Piperaceae). Dihydroferuperine is found in herbs and spices. Dihydroferuperine C17H23NO3 289.3694 289.167793607 (2E,4Z)-5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one (2E,4Z)-5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one 77795-17-6 COC1=CC(\C=C/C=C/C(=O)N2CCCCC2)=CCC1O InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3/b7-3-,8-4+ PUYWOMGLUNDEFM-KYPMKJFLSA-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 Aliphatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Tertiary carboxylic acid amides Alcohol Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative N-acyl-piperidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary alcohol Tertiary carboxylic acid amide logp 2.43 ALOGPS logs -2.88 ALOGPS solubility 3.84e-01 g/l ALOGPS melting_point Mp 78° logp 0.98 ChemAxon pka_strongest_acidic 13.86 ChemAxon pka_strongest_basic 2.37 ChemAxon iupac (2E,4Z)-5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one ChemAxon average_mass 289.3694 ChemAxon mono_mass 289.167793607 ChemAxon smiles COC1=CC(\C=C/C=C/C(=O)N2CCCCC2)=CCC1O ChemAxon formula C17H23NO3 ChemAxon inchi InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3/b7-3-,8-4+ ChemAxon inchikey PUYWOMGLUNDEFM-KYPMKJFLSA-N ChemAxon polar_surface_area 49.77 ChemAxon refractivity 88.32 ChemAxon polarizability 32.36 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16880 Specdb::CMs 46914 Specdb::CMs 131284 Specdb::CMs 139018 Specdb::MsMs 303301 Specdb::MsMs 303302 Specdb::MsMs 303303 Specdb::MsMs 346219 Specdb::MsMs 346220 Specdb::MsMs 346221 Specdb::MsMs 2724530 Specdb::MsMs 2724531 Specdb::MsMs 2724532 Specdb::MsMs 2956974 Specdb::MsMs 2956975 Specdb::MsMs 2956976 HMDB40700 #<Reference:0x000055ce322330d8> Herbs and Spices Unknown generic