4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-2098 |
| Compound Name: | 4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid |
| Molecular Weight: | 264.28 |
| Molecular Formula: | C13 H16 N2 O4 |
| Smiles: | CC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1247 |
| logD: | 0.3051 |
| logSw: | -3.3259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.879 |
| InChI Key: | UMFDTTHDTBZAGN-UHFFFAOYSA-N |