1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0882 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(3-methoxyphenyl)acetyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one |
| Molecular Weight: | 402.53 |
| Molecular Formula: | C23 H34 N2 O4 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(Cc1cccc(c1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4019 |
| logD: | 2.4019 |
| logSw: | -2.4965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.899 |
| InChI Key: | KVIJLBXUYUYWKS-TZIWHRDSSA-N |