1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Chemical Structure Depiction of
1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one
1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one
Compound characteristics
| Compound ID: | S995-0904 |
| Compound Name: | 1-{rel-(3R,4R)-3-(hydroxymethyl)-4-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidin-1-yl}-4-phenylbutan-1-one |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C24 H36 N2 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(CCCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1908 |
| logD: | 3.1908 |
| logSw: | -3.2181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.356 |
| InChI Key: | JILSVXRFTFOKEQ-FGZHOGPDSA-N |