Q6U
Summary
| Name: | 1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one |
| Formula: | C9 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 166.22 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(4-prop-2-ynylpiperazin-1-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C#CCN1CCN(CC1)C(C)=O |
| InChI | InChI | 1.06 | InChI=1S/C9H14N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h1H,4-8H2,2H3 |
| InChIKey | InChI | 1.06 | IUAFKLWCODTXIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC#C |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)CC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)CC#C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)CC#C |
