2-({4-[rel-(3R,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}methyl)benzonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-({4-[rel-(3R,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}methyl)benzonitrile--hydrogen chloride (1/1)
2-({4-[rel-(3R,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}methyl)benzonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S632-1380 |
| Compound Name: | 2-({4-[rel-(3R,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}methyl)benzonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 335.88 |
| Molecular Formula: | C18 H25 N3 O |
| Salt: | HCl |
| Smiles: | C1CN(CCC1[C@@H]1CNC[C@H]1CO)Cc1ccccc1C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4615 |
| logD: | -1.8805 |
| logSw: | -2.0891 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.252 |
| InChI Key: | VVDDAMXSMZGYOS-QZTJIDSGSA-N |