VZ9
概要
| 表記: | 2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol |
| 組成式: | C13 H19 F N2 O |
| 電荷: | 0 |
| 化学式量: | 238.301 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}ethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OCCN1CCN(CC1)Cc1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H19FN2O/c14-13-3-1-12(2-4-13)11-16-7-5-15(6-8-16)9-10-17/h1-4,17H,5-11H2 |
| InChIKey | InChI | 1.06 | KCZHNDKCJQKXCG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCN1CCN(CC1)Cc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | OCCN1CCN(CC1)Cc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCN(CC2)CCO)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN2CCN(CC2)CCO)F |
