54U
Summary
| Name: | 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone |
| Formula: | C12 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 220.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone |
| OpenEye OEToolkits | 1.9.2 | 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(N1CCN(C(C)=O)CC1)ccc(c2)O |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | AGVNLFCRZULMKK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N1CCN(CC1)c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)N1CCN(CC1)c2ccc(cc2)O |
