AT2
概要
| 表記: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE |
| 組成式: | C14 H21 N3 O2 |
| 電荷: | 0 |
| 化学式量: | 263.335 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate |
| OpenEye OEToolkits | 1.5.0 | ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-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 | 10.04 | O=C(OCC)N2CCC(Nc1nccc(c1)C)CC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)N1CCC(CC1)Nc2cc(C)ccn2 |
| SMILES | CACTVS | 3.341 | CCOC(=O)N1CCC(CC1)Nc2cc(C)ccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | LNRMJBWADUSJTA-UHFFFAOYSA-N |
