8TV
Summary
| Name: | 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one |
| Formula: | C11 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 205.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-(4-pyridin-4-ylpiperazin-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(C(C)=O)CCN(CC1)c2ccncc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H15N3O/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11/h2-5H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | DUIMATYBNXNRMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)c2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)c2ccncc2 |
