1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S995-0431 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(CCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8095 |
| logD: | 1.8095 |
| logSw: | -1.7789 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.824 |
| InChI Key: | JAXJRZIVLKWIDT-PMACEKPBSA-N |