{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(piperidin-1-yl)isoquinolin-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(piperidin-1-yl)isoquinolin-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(piperidin-1-yl)isoquinolin-4-yl]methanone
Compound characteristics
| Compound ID: | G817-0579 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(piperidin-1-yl)isoquinolin-4-yl]methanone |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C27 H30 N4 O3 |
| Smiles: | C1CCN(CC1)c1c2ccccc2c(cn1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1389 |
| logD: | 3.9473 |
| logSw: | -3.9875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.794 |
| InChI Key: | PJQDVHZTRBNDSE-UHFFFAOYSA-N |