2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-fluorobenzonitrile
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-fluorobenzonitrile
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-fluorobenzonitrile
Compound characteristics
| Compound ID: | 8016-4429 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-fluorobenzonitrile |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C19 H18 F N3 O2 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)c1cccc(c1C#N)F |
| Stereo: | ACHIRAL |
| logP: | 3.0995 |
| logD: | 2.727 |
| logSw: | -3.273 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.102 |
| InChI Key: | QRLFRJXIMHCVKR-UHFFFAOYSA-N |