1-{4-[rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S632-2250 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-(3,5-dimethylbenzoyl)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 358.48 |
| Molecular Formula: | C21 H30 N2 O3 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(c1cc(C)cc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9597 |
| logD: | 1.9597 |
| logSw: | -2.0732 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.351 |
| InChI Key: | IKXMLAWGHBIESY-PMACEKPBSA-N |