methyl 3-(3,5-dimethylpiperidine-1-carbonyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(3,5-dimethylpiperidine-1-carbonyl)-5-nitrobenzoate
methyl 3-(3,5-dimethylpiperidine-1-carbonyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0049 |
| Compound Name: | methyl 3-(3,5-dimethylpiperidine-1-carbonyl)-5-nitrobenzoate |
| Molecular Weight: | 320.34 |
| Molecular Formula: | C16 H20 N2 O5 |
| Smiles: | CC1CC(C)CN(C1)C(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0334 |
| logD: | 3.0334 |
| logSw: | -3.4117 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.309 |
| InChI Key: | LCDWCJXQTCJFOO-UHFFFAOYSA-N |