1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0945 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 344.5 |
| Molecular Formula: | C21 H32 N2 O2 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5288 |
| logD: | 1.0342 |
| logSw: | -2.3048 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.967 |
| InChI Key: | APVAUJHKOHDSLF-WOJBJXKFSA-N |