| Phytochemical Name : Ethyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate |
| PCNDIDE0075 |
| Pubchem CID : 34167 |
| Molecular formula: C9H15NO2 |
| Canonical SMILES : CCOC(=O)C1=CCCN(C1)C |
Synonymes : 28125-84-0|Ethyl 1-methyl-1,2,5,6-tetrahydronicotinate|ethyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate|Homoarecoline|Arecaidine Ethyl Ester|Arecaidine-ethyl ester|ethyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate|BRN 0125290|NICOTINIC ACID, 1,2,5,6-TETRAHYDRO-1-METHYL-, ETHYL ESTER|3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, ethyl ester|SCHEMBL7276350|Ethyl1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate|DTXSID30182404|CHEBI:166574|AMY36658|AKOS015850968|LS-96621|A5371|FT-0682567|ETHYL 1-METHYL-1,2,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.530 |
| Log Po/w (XLOGP3) : 0.720 |
| Log Po/w (WLOGP) : 0.430 |
| Log Po/w (MLOGP) : 0.900 |
| Log Po/w (SILICOS-IT) : 1.100 |
| Consensus Log Po/w : 1.140 |