1.0 2010-04-08 22:10:20 UTC 2019-11-26 03:07:31 UTC FDB012745 Piperettine Alkaloid from the dried fruits of Piper nigrum (pepper). Piperettine is found in herbs and spices and pepper (spice). 1-[7-(1,3-Benzodioxol-5-yl)-1-oxo-2,4,6-heptatrienyl]piperidine, 9CI 1-[7-(3,4-Methylenedioxyphenyl)heptatrienoyl]piperidine C19H21NO3 311.3749 311.152143543 (2E,4E,6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one (2E,4E,6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one 583-34-6 O=C(\C=C\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1 InChI=1S/C19H21NO3/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/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+ DLKOUKNODPCIHZ-UMYWTXKFSA-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 4.03 ALOGPS logs -4.36 ALOGPS solubility 1.34e-02 g/l ALOGPS melting_point Mp 148° logp 3.3 ChemAxon pka_strongest_basic 2.37 ChemAxon iupac (2E,4E,6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hepta-2,4,6-trien-1-one ChemAxon average_mass 311.3749 ChemAxon mono_mass 311.152143543 ChemAxon smiles O=C(\C=C\C=C\C=C\C1=CC2=C(OCO2)C=C1)N1CCCCC1 ChemAxon formula C19H21NO3 ChemAxon inchi InChI=1S/C19H21NO3/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/h1-2,4-5,8-11,14H,3,6-7,12-13,15H2/b2-1+,8-4+,9-5+ ChemAxon inchikey DLKOUKNODPCIHZ-UMYWTXKFSA-N ChemAxon polar_surface_area 38.77 ChemAxon refractivity 93.22 ChemAxon polarizability 36.04 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15434 Specdb::CMs 171782 Specdb::MsMs 47289 Specdb::MsMs 47290 Specdb::MsMs 47291 Specdb::MsMs 142026 Specdb::MsMs 142027 Specdb::MsMs 142028 Specdb::MsMs 2343090 Specdb::MsMs 2343091 Specdb::MsMs 2343092 Specdb::MsMs 2596303 Specdb::MsMs 2596304 Specdb::MsMs 2596305 HMDB34371 #<Reference:0x000055ce334f62b0> Herbs and Spices Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216 525.0 525.0 525.0 mg/100 g