WMG
概要
| 表記: | 1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine |
| 組成式: | C12 H17 F N2 |
| 電荷: | 0 |
| 化学式量: | 208.275 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 | 1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine |
| OpenEye OEToolkits | 2.0.7 | 1-[(1~{S})-1-(2-fluorophenyl)ethyl]piperazine |
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 | c2c(C(C)N1CCNCC1)c(ccc2)F |
| InChI | InChI | 1.03 | InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | UIJNEACQJVSKLI-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N1CCNCC1)c2ccccc2F |
| SMILES | CACTVS | 3.385 | C[CH](N1CCNCC1)c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1F)N2CCNCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1F)N2CCNCC2 |
