{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(methanesulfonyl)piperidin-3-yl]methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(methanesulfonyl)piperidin-3-yl]methanone--hydrogen chloride (1/1)
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(methanesulfonyl)piperidin-3-yl]methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y502-4305 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(methanesulfonyl)piperidin-3-yl]methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 445.96 |
| Molecular Formula: | C19 H27 N3 O5 S |
| Salt: | HCl |
| Smiles: | CS(N1CCCC(C1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7321 |
| logD: | 0.2637 |
| logSw: | -2.2488 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.951 |
| InChI Key: | WDVCMMLCYXPVOB-INIZCTEOSA-N |