A1AYA
Summary
| Name: | [2-(4-methylpiperazin-1-yl)phenyl]methanol |
| Formula: | C12 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 206.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(4-methylpiperazin-1-yl)phenyl]methanol |
| OpenEye OEToolkits | 2.0.7 | [2-(4-methylpiperazin-1-yl)phenyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1CCN(CC1)c1ccccc1CO |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3 |
| InChIKey | InChI | 1.06 | TWPYBKBPHCMUIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2CO |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)c2ccccc2CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccccc2CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CCN(CC1)c2ccccc2CO |
