1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | S995-0418 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 317.43 |
| Molecular Formula: | C18 H27 N3 O2 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccncc2)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.372 |
| logD: | -0.1937 |
| logSw: | -0.9419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.863 |
| InChI Key: | XLADYHJRKFQALJ-QZTJIDSGSA-N |