1-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-chloropropan-1-one
Chemical Structure Depiction of
1-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-chloropropan-1-one
1-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-chloropropan-1-one
Compound characteristics
| Compound ID: | V031-1252 |
| Compound Name: | 1-{4-[2-(2H-1,3-benzodioxol-5-yl)ethyl]piperidin-1-yl}-2-chloropropan-1-one |
| Molecular Weight: | 323.82 |
| Molecular Formula: | C17 H22 Cl N O3 |
| Smiles: | CC(C(N1CCC(CCc2ccc3c(c2)OCO3)CC1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4826 |
| logD: | 3.4826 |
| logSw: | -3.6571 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.002 |
| InChI Key: | NUVDPRSQCCHUGK-LBPRGKRZSA-N |