531
Summary
| Name: | 1-[(3S)-1-benzylpiperidin-3-yl]ethanone |
| Formula: | C14 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 217.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3S)-1-benzylpiperidin-3-yl]ethanone |
| OpenEye OEToolkits | 1.9.2 | 1-[(3S)-1-(phenylmethyl)piperidin-3-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccccc1)N2CC(C(=O)C)CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO/c1-12(16)14-8-5-9-15(11-14)10-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | PSOOKVRLQJHUPX-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@H]1CCCN(C1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)[CH]1CCCN(C1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)[C@H]1CCCN(C1)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)C1CCCN(C1)Cc2ccccc2 |
