1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0931 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 372.55 |
| Molecular Formula: | C23 H36 N2 O2 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(CCCc2ccccc2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3041 |
| logD: | 1.1177 |
| logSw: | -3.3904 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.946 |
| InChI Key: | MZEJXRAAUABNCS-FGZHOGPDSA-N |