WOA
Summary
| Name: | (3S)-3-(methylamino)-1-phenylpiperidin-2-one |
| Formula: | C12 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(methylamino)-1-phenylpiperidin-2-one |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-(methylamino)-1-phenyl-piperidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2(N1CCCC(NC)C1=O)ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | PVGKKAFLCYRCCI-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H]1CCCN(C1=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CN[CH]1CCCN(C1=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN[C@H]1CCCN(C1=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC1CCCN(C1=O)c2ccccc2 |
