8RS
Summary
| Name: | 1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Formula: | C12 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-phenylpiperazin-1-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-(4-phenylpiperazin-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C(C)=O)CCN(CC1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3 |
| InChIKey | InChI | 1.03 | YFBOBXSXWBMZCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)c2ccccc2 |
