| Phytochemical Name : Pipernonaline |
| PCNDIDP0128 |
| Pubchem CID : 9974595 |
| Molecular formula: C21H27NO3 |
| Canonical SMILES : C1CCN(CC1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3 |
Synonymes : PIPERNONALINE|88660-10-0|(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,8-dien-1-one|Piperidine, 1-[(2E,8E)-9-(1,3-benzodioxol-5-yl)-1-oxo-2,8-nonadienyl]-|D0S2UZ|CHEMBL450332|SCHEMBL23728291|SCHEMBL23728292|CHEBI:174598|BDBM50479138|AKOS040734149|Pipernonaline, >=95% (LC/MS-ELSD)|9-(3,4-Methylenedioxyphenyl)-2,8-nonadienoic acid piperidide|1-[9-(1,3-Benzodioxol-5-yl)-1-oxo-2,8-nonadienyl]piperidine, 9CI|(2E,8E)-9-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one|(2E,8E)-9-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)nona-2,8-dien-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.350 |
| Log Po/w (XLOGP3) : 5.140 |
| Log Po/w (WLOGP) : 4.070 |
| Log Po/w (MLOGP) : 3.310 |
| Log Po/w (SILICOS-IT) : 4.960 |
| Consensus Log Po/w : 4.360 |