1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0486 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(propan-2-yl)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 358.52 |
| Molecular Formula: | C22 H34 N2 O2 |
| Smiles: | CC(C)c1ccc(CN2C[C@@H](CO)[C@@H](C2)C2CCN(CC2)C(C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0667 |
| logD: | 1.0415 |
| logSw: | -2.8062 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.435 |
| InChI Key: | LZSYJNYQPPGJRZ-FGZHOGPDSA-N |