T8P
Summary
| Name: | 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Formula: | C13 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 234.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(CCN(c1ccc(cc1)OC)CC2)C(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O2/c1-11(16)14-7-9-15(10-8-14)12-3-5-13(17-2)6-4-12/h3-6H,7-10H2,1-2H3 |
| InChIKey | InChI | 1.03 | AVCQLYXAEKNILW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N2CCN(CC2)C(C)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)N2CCN(CC2)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)c2ccc(cc2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)c2ccc(cc2)OC |
