A1AA7
概要
| 表記: | 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one |
| 組成式: | C16 H23 N O |
| 電荷: | 0 |
| 化学式量: | 245.36 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-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one |
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 | O=C(C(C)C)N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3 |
| InChIKey | InChI | 1.06 | VACPZZBFCLJGKU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)N1CCC(CC1)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(C)C(=O)N1CCC(CC1)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)N1CCC(CC1)Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)N1CCC(CC1)Cc2ccccc2 |
