1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0892 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(hydroxymethyl)-1-{[4-(trifluoromethoxy)phenyl]methyl}pyrrolidin-3-yl]piperidin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C22 H31 F3 N2 O3 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2ccc(cc2)OC(F)(F)F)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.72 |
| logD: | 2.4751 |
| logSw: | -3.8651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.904 |
| InChI Key: | XJHJTOZKFFFDKC-ICSRJNTNSA-N |