[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl][4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methanone
Chemical Structure Depiction of
[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl][4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methanone
[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl][4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methanone
Compound characteristics
| Compound ID: | S617-0379 |
| Compound Name: | [rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl][4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]methanone |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C21 H29 N3 O2 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CC[C@H](CO)[C@@H](C1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5571 |
| logD: | 0.5791 |
| logSw: | -1.6937 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.735 |
| InChI Key: | PBYUYVDKLCMBQL-QUCCMNQESA-N |