1-{4-[4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
1-{4-[4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
1-{4-[4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | 8016-0419 |
| Compound Name: | 1-{4-[4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C21 H31 F N4 O3 |
| Smiles: | CC1CCCCN1c1cc(c(cc1F)[N+]([O-])=O)N1CCN(CC1)C(C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9444 |
| logD: | 3.9444 |
| logSw: | -4.0987 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.635 |
| InChI Key: | XORFJDMKAFTESZ-HNNXBMFYSA-N |