A1ANG
Summary
| Name: | (3R)-3-[(4-fluorophenyl)methyl]piperidine |
| Formula: | C12 H16 F N |
| Formal charge: | 0 |
| Formula weight: | 193.261 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-[(4-fluorophenyl)methyl]piperidine |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-[(4-fluorophenyl)methyl]piperidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1)CC1CCCNC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H16FN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | WATWKPHWUDHKGA-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(C[C@@H]2CCCNC2)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(C[CH]2CCCNC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H]2CCCNC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC2CCCNC2)F |
