1.0 2010-04-08 22:05:12 UTC 2025-11-18 22:34:18 UTC FDB002001 Piperolein A (e)-piperolein a is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms (e)-piperolein a is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (e)-piperolein a can be found in herbs and spices, which makes (e)-piperolein a a potential biomarker for the consumption of this food product. 1-[7-(1,3-Benzodioxol-5-yl)-1-oxo-6-heptenyl]piperidine, 9CI 1-[7-(3,4-Methylenedioxyphenyl)-6-heptenoyl]piperidine C19H25NO3 315.4067 315.183443671 (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one 30505-92-1 O=C(CCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1 InChI=1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+ MIWPBXQTBYPJEF-XBXARRHUSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives N-acylpiperidines Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Styrenes Tertiary carboxylic acid amides Acetal Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodioxole 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 Oxacycle Piperidine Styrene Tertiary carboxylic acid amide logp 4.25 ALOGPS logs -4.04 ALOGPS solubility 2.91e-02 g/l ALOGPS logp 3.67 ChemAxon pka_strongest_basic 0.42 ChemAxon iupac (6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one ChemAxon average_mass 315.4067 ChemAxon mono_mass 315.183443671 ChemAxon smiles O=C(CCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1 ChemAxon formula C19H25NO3 ChemAxon inchi InChI=1S/C19H25NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4,8,10-11,14H,1-3,5-7,9,12-13,15H2/b8-4+ ChemAxon inchikey MIWPBXQTBYPJEF-XBXARRHUSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 91.01 ChemAxon polarizability 36.91 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18084 Specdb::CMs 150648 Specdb::MsMs 101502 Specdb::MsMs 101503 Specdb::MsMs 101504 Specdb::MsMs 167139 Specdb::MsMs 167140 Specdb::MsMs 167141 Specdb::MsMs 2253042 Specdb::MsMs 2253450 Specdb::MsMs 2255054 Specdb::MsMs 2464203 Specdb::MsMs 2464204 Specdb::MsMs 2464205 Specdb::MsMs 2502047 Specdb::MsMs 2502048 Specdb::MsMs 2502049 HMDB0030185 Pepper (Spice) Type 1 specific Piper nigrum 13216