A1D5U
Summary
| Name: | methyl (2~{R})-2-phenyl-2-[(2~{R})-piperidin-2-yl]ethanoate |
| Synonyms: | Dexmethylphenidate |
| Formula: | C14 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 233.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{R})-2-phenyl-2-[(2~{R})-piperidin-2-yl]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1 |
| InChIKey | InChI | 1.06 | DUGOZIWVEXMGBE-CHWSQXEVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]([C@H]1CCCCN1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]([CH]1CCCCN1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C(c1ccccc1)C2CCCCN2 |
