1-{4-[rel-(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S632-2409 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C21 H32 N2 O3 |
| Smiles: | CCOc1ccccc1CN1C[C@@H](CO)[C@@H](C1)C1CCN(CC1)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2227 |
| logD: | -0.0018 |
| logSw: | -2.2321 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.645 |
| InChI Key: | BBPOSOXETNDEPP-WOJBJXKFSA-N |