4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid
4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid
Compound characteristics
Compound ID: | K781-6388 |
Compound Name: | 4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid |
Molecular Weight: | 340.38 |
Molecular Formula: | C19 H20 N2 O4 |
Smiles: | C1CN(CCC1Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 4.7652 |
logD: | 1.9456 |
logSw: | -4.757 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.607 |
InChI Key: | ADLKWVVIHHKCTA-UHFFFAOYSA-N |