3-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]propanenitrile
Chemical Structure Depiction of
3-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]propanenitrile
3-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]propanenitrile
Compound characteristics
| Compound ID: | 8008-5970 |
| Compound Name: | 3-[4-(2-fluoro-5-methyl-4-nitrophenyl)piperazin-1-yl]propanenitrile |
| Molecular Weight: | 292.31 |
| Molecular Formula: | C14 H17 F N4 O2 |
| Smiles: | Cc1cc(c(cc1[N+]([O-])=O)F)N1CCN(CCC#N)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.0395 |
| logD: | 2.0386 |
| logSw: | -2.1002 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.753 |
| InChI Key: | BYRLGBVIVMOBFZ-UHFFFAOYSA-N |