1-{4-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0390 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 376.5 |
| Molecular Formula: | C21 H32 N2 O4 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccc(cc2OC)OC)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8329 |
| logD: | 0.5647 |
| logSw: | -2.2535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.609 |
| InChI Key: | PZRASMBQDLJSGR-UYAOXDASSA-N |