1-{4-[rel-(3R,4R)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one--hydrogen chloride (1/1)
1-{4-[rel-(3R,4R)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S995-0722 |
| Compound Name: | 1-{4-[rel-(3R,4R)-4-(phenoxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 338.88 |
| Molecular Formula: | C18 H26 N2 O2 |
| Salt: | HCl |
| Smiles: | [H]N1C[C@@H](COc2ccccc2)[C@@H](C1)C1CCN(CC1)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3051 |
| logD: | -0.5482 |
| logSw: | -2.5564 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.963 |
| InChI Key: | YQMJAPKKBDCMGR-SJLPKXTDSA-N |