methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate
methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-0074 |
| Compound Name: | methyl 3-(4-benzylpiperidine-1-carbonyl)-5-nitrobenzoate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C21 H22 N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1233 |
| logD: | 4.1233 |
| logSw: | -4.4147 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.171 |
| InChI Key: | ZSFCYSOHLQOEBF-UHFFFAOYSA-N |