VD6
Summary
| Name: | (2R)-1-benzylpiperidine-2-carboxylic 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 | (2R)-1-benzylpiperidine-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-(phenylmethyl)piperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCCCN1Cc1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | FEUCBQVXYVZGCM-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCCCN1Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCCN1Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2CCCC[C@@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2CCCCC2C(=O)O |
