S46
Summary
| Name: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone |
| 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 | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone |
| OpenEye OEToolkits | 1.7.6 | (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CCN(C)CC1)c2ccc(O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | NGNUDVSZXGEJKN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C(=O)c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)C(=O)c2ccc(cc2)O |
