1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S995-0382 |
| Compound Name: | 1-{4-[rel-(3R,4R)-1-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C21 H30 N2 O4 |
| Smiles: | CC(N1CCC(CC1)[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7391 |
| logD: | -1.9281 |
| logSw: | -1.6868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.258 |
| InChI Key: | DGUKSWKWHGYNNW-RTBURBONSA-N |