1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S995-0435 |
| Compound Name: | 1-[rel-(3R,4R)-3-(1-acetylpiperidin-4-yl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C21 H30 N2 O4 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(C[C@H]1CO)C(COc1cccc(C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4939 |
| logD: | 1.4939 |
| logSw: | -1.7442 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.323 |
| InChI Key: | XUPZZUMUOFTDRZ-ICSRJNTNSA-N |