1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0440 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 316.44 |
| Molecular Formula: | C19 H28 N2 O2 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7285 |
| logD: | 0.2339 |
| logSw: | -1.8594 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.435 |
| InChI Key: | ZHTZXNUWPFMMPD-RTBURBONSA-N |