3-(1H-benzimidazol-2-yl)-1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(1H-benzimidazol-2-yl)-1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
3-(1H-benzimidazol-2-yl)-1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S617-0422 |
| Compound Name: | 3-(1H-benzimidazol-2-yl)-1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]propan-1-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C18 H26 N4 O2 |
| Smiles: | CN(C)[C@@H]1CN(CC[C@@H]1CO)C(CCc1nc2ccccc2[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8633 |
| logD: | -0.8369 |
| logSw: | -1.6779 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.601 |
| InChI Key: | ZMDTZZVTDSVLPV-CJNGLKHVSA-N |