JLA
Summary
| Name: | 4-(piperidin-1-yl)benzoic acid |
| Formula: | C12 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 205.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(piperidin-1-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 4-piperidin-1-ylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CCN(CC1)c2ccc(C(=O)O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15) |
| InChIKey | InChI | 1.03 | DGJNUESQBVPXAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(cc1)N2CCCCC2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(cc1)N2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)O)N2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)O)N2CCCCC2 |
