A1D7O
Summary
| Name: | (4~{R})-4-methyl-1-(phenylmethyl)piperidin-3-one |
| Formula: | C13 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 203.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-4-methyl-1-(phenylmethyl)piperidin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3/t11-/m1/s1 |
| InChIKey | InChI | 1.06 | BSBVJNUGGBQEPO-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCN(CC1=O)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCN(CC1=O)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCN(CC1=O)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCN(CC1=O)Cc2ccccc2 |
