VU1
Summary
| Name: | 4-[(piperidin-1-yl)methyl]benzoic acid |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(piperidin-1-yl)methyl]benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 4-(piperidin-1-ylmethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2CCCN(Cc1ccc(C(O)=O)cc1)C2 |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16) |
| InChIKey | InChI | 1.03 | RNCCMTVMMFUIKR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(CN2CCCCC2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(CN2CCCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCCCC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCCCC2)C(=O)O |
