1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Chemical Structure Depiction of
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S995-0921 |
| Compound Name: | 1-(4-{rel-(3R,4R)-4-(hydroxymethyl)-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}piperidin-1-yl)-2-methylpropan-1-one |
| Molecular Weight: | 347.5 |
| Molecular Formula: | C20 H33 N3 O2 |
| Smiles: | CC(C)C(N1CCC(CC1)[C@@H]1CN(Cc2cccn2C)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9248 |
| logD: | 0.9894 |
| logSw: | -2.1813 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.865 |
| InChI Key: | YJERTXZOMMTCGO-IEBWSBKVSA-N |