M2E
Summary
| Name: | (4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone |
| Formula: | C12 H14 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 239.698 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-chlorophenyl)-[(3~{S})-3-oxidanylpiperidin-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14ClNO2/c13-10-5-3-9(4-6-10)12(16)14-7-1-2-11(15)8-14/h3-6,11,15H,1-2,7-8H2/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | ADLNHOSFBJIEBO-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCCN(C1)C(=O)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | O[CH]1CCCN(C1)C(=O)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N2CCCC(C2)O)Cl |
