A1BWU
Summary
| Name: | 1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one |
| Formula: | C14 H18 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 251.752 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 2-chloranyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CCl)N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C14H18ClNO/c15-11-14(17)16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2 |
| InChIKey | InChI | 1.06 | NESGURPSHDOKFU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CCC(CC1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | ClCC(=O)N1CCC(CC1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CC2CCN(CC2)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CC2CCN(CC2)C(=O)CCl |
