N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline
Compound characteristics
| Compound ID: | 3159-1028 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-(piperidin-1-yl)aniline |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C21 H27 N3 O4 |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCCCC2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8249 |
| logD: | 3.8249 |
| logSw: | -4.0435 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.411 |
| InChI Key: | LCRPOXALAXQFAQ-UHFFFAOYSA-N |