WZS
Summary
| Name: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one |
| Formula: | C15 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 246.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(2-phenylethylamino)piperidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(CCNC1CCN(C(C)=O)CC1)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3 |
| InChIKey | InChI | 1.03 | UKFIGIFDDSVHCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC(CC1)NCCc2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC(CC1)NCCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)NCCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCC(CC1)NCCc2ccccc2 |
