Q4L
概要
| 表記: | methyl 4-(4-fluorophenyl)piperazine-1-carboxylate |
| 組成式: | C12 H15 F N2 O2 |
| 電荷: | 0 |
| 化学式量: | 238.258 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 | methyl 4-(4-fluorophenyl)piperazine-1-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl 4-(4-fluorophenyl)piperazine-1-carboxylate |
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 | COC(=O)N1CCN(CC1)c1ccc(F)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C12H15FN2O2/c1-17-12(16)15-8-6-14(7-9-15)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3 |
| InChIKey | InChI | 1.03 | KWVIJGFYBHCKOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)N1CCN(CC1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | COC(=O)N1CCN(CC1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCN(CC1)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)N1CCN(CC1)c2ccc(cc2)F |
