14N
Summary
| Name: | 4-(4-methylpiperazin-1-yl)benzoic acid |
| Formula: | C12 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 220.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-methylpiperazin-1-yl)benzoic acid |
| OpenEye OEToolkits | 1.7.6 | 4-(4-methylpiperazin-1-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)N2CCN(C)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | UCFZVQHKTRSZMM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1CCN(CC1)c2ccc(cc2)C(O)=O |
| SMILES | CACTVS | 3.370 | CN1CCN(CC1)c2ccc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)c2ccc(cc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)c2ccc(cc2)C(=O)O |
