1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
Chemical Structure Depiction of
1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
Compound characteristics
| Compound ID: | S617-0334 |
| Compound Name: | 1-[rel-(3R,4R)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C20 H29 N3 O2 |
| Smiles: | CN(C)[C@@H]1CN(CC[C@@H]1CO)C(CCCc1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6522 |
| logD: | -0.048 |
| logSw: | -2.0283 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.19 |
| InChI Key: | XNPKKAMZFCRHOO-APWZRJJASA-N |