QSS
Summary
| Name: | 2-(4-methylpiperazin-1-yl)aniline |
| Formula: | C11 H17 N3 |
| Formal charge: | 0 |
| Formula weight: | 191.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(4-methylpiperazin-1-yl)aniline |
| OpenEye OEToolkits | 2.0.7 | 2-(4-methylpiperazin-1-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(c1N2CCN(C)CC2)N |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3 |
| InChIKey | InChI | 1.03 | INWHDRNGZMHXEZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2N |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccccc2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccccc2N |
