1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S632-2510 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 365.56 |
| Molecular Formula: | C21 H39 N3 O2 |
| Smiles: | CC(C)CN1CCC(CC1)N1C[C@@H](CO)[C@@H](C1)C1CCN(CC1)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.962 |
| logD: | -0.1414 |
| logSw: | -1.9192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.8 |
| InChI Key: | KUGWHZPMVHHOES-TZIWHRDSSA-N |