A1BFN
Summary
| Name: | (3S)-1-[(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid |
| Formula: | C14 H16 F N O3 |
| Formal charge: | 0 |
| Formula weight: | 265.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(4-fluorophenyl)ethanoyl]piperidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccc(F)cc1)N1CCCC(C1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19) |
| InChIKey | InChI | 1.06 | ISRBHDOSFNPUED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCN(C1)C(=O)Cc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CC(=O)N2CCC[C@@H](C2)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CC(=O)N2CCCC(C2)C(=O)O)F |
