1.0 2010-04-08 22:05:16 UTC 2020-02-24 19:10:27 UTC FDB002183 Piperolein B Minor constituent of Piper nigrum (black pepper). Piperolein B is found in herbs and spices and pepper (spice). Piperolein B C21H29NO3 343.4599 343.214743799 (8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one (8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one 30505-89-6 O=C(CCCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1 InChI=1S/C21H29NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+ FAXXHNWVMKTOFF-UXBLZVDNSA-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 5.12 ALOGPS logs -4.83 ALOGPS solubility 5.03e-03 g/l ALOGPS logp 4.56 ChemAxon pka_strongest_basic 0.42 ChemAxon iupac (8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)non-8-en-1-one ChemAxon average_mass 343.4599 ChemAxon mono_mass 343.214743799 ChemAxon smiles O=C(CCCCCC\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1 ChemAxon formula C21H29NO3 ChemAxon inchi InChI=1S/C21H29NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h6,10,12-13,16H,1-5,7-9,11,14-15,17H2/b10-6+ ChemAxon inchikey FAXXHNWVMKTOFF-UXBLZVDNSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 100.21 ChemAxon polarizability 41.09 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9535 Specdb::CMs 159061 Specdb::MsMs 87270 Specdb::MsMs 87271 Specdb::MsMs 87272 Specdb::MsMs 149739 Specdb::MsMs 149740 Specdb::MsMs 149741 Specdb::MsMs 452196 Specdb::MsMs 2799136 Specdb::MsMs 2799137 Specdb::MsMs 2799138 Specdb::MsMs 2883686 Specdb::MsMs 2883687 Specdb::MsMs 2883688 HMDB30340 #<Reference:0x000055ce31c7a768> Herbs and Spices Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216