NUG
概要
| 表記: | 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol |
| 組成式: | C10 H17 N O S |
| 電荷: | 0 |
| 化学式量: | 199.313 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-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol |
| OpenEye OEToolkits | 2.0.6 | 1-(2,5-dihydrothiophen-3-ylmethyl)piperidin-4-ol |
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 | N2(CC1=CCSC1)CCC(CC2)O |
| InChI | InChI | 1.03 | InChI=1S/C10H17NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,10,12H,1-2,4-8H2 |
| InChIKey | InChI | 1.03 | PFVAURGZHWBFTG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1CCN(CC1)CC2=CCSC2 |
| SMILES | CACTVS | 3.385 | OC1CCN(CC1)CC2=CCSC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CN(CCC1O)CC2=CCSC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CN(CCC1O)CC2=CCSC2 |
