C168H313FN22O8 — CID 159216663
1-tert-butyl-4-ethylpiperidine;1-(1-tert-butyl-4-fluoropiperidin-4-yl)ethanone;1-tert-butyl-4-imidazol-1-ylpiperidine;1-(1-tert-butyl-4-methylpiperidin-4-yl)ethanone;1-(1-tert-butylpiperidin-4-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-4-yl)ethanone;2-(1-tert-butylpiperidin-4-yl)-N-methylacetamide;2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole;1-(1-tert-butylpiperidin-4-yl)propan-1-one;1-(1-tert-butylpiperidin-4-yl)propan-2-one;1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine;1-tert-butyl-3-(3H-pyrrol-2-yl)piperidine;1-tert-butyl-4-pyrrol-1-ylpiperidine;1,4-ditert-butylpiperidine (PubChem CID 159216663) has the molecular formula C168H313FN22O8 and a molecular weight of 2788.50 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylpiperidine;1-(1-tert-butyl-4-fluoropiperidin-4-yl)ethanone;1-tert-butyl-4-imidazol-1-ylpiperidine;1-(1-tert-butyl-4-methylpiperidin-4-yl)ethanone;1-(1-tert-butylpiperidin-4-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-4-yl)ethanone;2-(1-tert-butylpiperidin-4-yl)-N-methylacetamide;2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole;1-(1-tert-butylpiperidin-4-yl)propan-1-one;1-(1-tert-butylpiperidin-4-yl)propan-2-one;1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine;1-tert-butyl-3-(3H-pyrrol-2-yl)piperidine;1-tert-butyl-4-pyrrol-1-ylpiperidine;1,4-ditert-butylpiperidine.
| Compound Name | 1-tert-butyl-4-ethylpiperidine;1-(1-tert-butyl-4-fluoropiperidin-4-yl)ethanone;1-tert-butyl-4-imidazol-1-ylpiperidine;1-(1-tert-butyl-4-methylpiperidin-4-yl)ethanone;1-(1-tert-butylpiperidin-4-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-4-yl)ethanone;2-(1-tert-butylpiperidin-4-yl)-N-methylacetamide;2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole;1-(1-tert-butylpiperidin-4-yl)propan-1-one;1-(1-tert-butylpiperidin-4-yl)propan-2-one;1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine;1-tert-butyl-3-(3H-pyrrol-2-yl)piperidine;1-tert-butyl-4-pyrrol-1-ylpiperidine;1,4-ditert-butylpiperidine |
|---|---|
| PubChem CID | 159216663 |
| Molecular Formula | C168H313FN22O8 |
| Molecular Weight | 2788.50 g/mol |
| Exact Mass | 2786.47 |
| IUPAC Name | 1-tert-butyl-4-ethylpiperidine;1-(1-tert-butyl-4-fluoropiperidin-4-yl)ethanone;1-tert-butyl-4-imidazol-1-ylpiperidine;1-(1-tert-butyl-4-methylpiperidin-4-yl)ethanone;1-(1-tert-butylpiperidin-4-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-4-yl)ethanone;2-(1-tert-butylpiperidin-4-yl)-N-methylacetamide;2-(1-tert-butylpiperidin-4-yl)-1,3-oxazole;1-(1-tert-butylpiperidin-4-yl)propan-1-one;1-(1-tert-butylpiperidin-4-yl)propan-2-one;1-tert-butyl-3-(1H-pyrazol-5-yl)piperidine;1-tert-butyl-3-(3H-pyrrol-2-yl)piperidine;1-tert-butyl-4-pyrrol-1-ylpiperidine;1,4-ditert-butylpiperidine |
| SMILES | CC(=O)C1(C)CCN(C(C)(C)C)CC1.CC(=O)C1(F)CCN(C(C)(C)C)CC1.CC(=O)C1CCN(C(C)(C)C)CC1.CC(=O)CC1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(C2(O)CC2)CC1.CC(C)(C)N1CCC(c2ncco2)CC1.CC(C)(C)N1CCC(n2cccc2)CC1.CC(C)(C)N1CCC(n2ccnc2)CC1.CC(C)(C)N1CCCC(C2=NC=CC2)C1.CC(C)(C)N1CCCC(c2ccn[nH]2)C1.CCC(=O)C1CCN(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CNC(=O)CC1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/2C13H22N2.C13H27N.2C12H21N3.C12H20N2O.C12H24N2O.4C12H23NO.C11H20FNO.C11H21NO.C11H23N/c1-13(2,3)15-9-5-6-11(10-15)12-7-4-8-14-12;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)15-7-4-11(5-8-15)14-9-6-13-10-14;1-12(2,3)15-8-4-5-10(9-15)11-6-7-13-14-11;1-12(2,3)14-7-4-10(5-8-14)11-13-6-9-15-11;1-12(2,3)14-7-5-10(6-8-14)9-11(15)13-4;1-11(2,3)13-8-4-10(5-9-13)12(14)6-7-12;1-10(14)12(5)6-8-13(9-7-12)11(2,3)4;1-10(14)9-11-5-7-13(8-6-11)12(2,3)4;1-5-11(14)10-6-8-13(9-7-10)12(2,3)4;1-9(14)11(12)5-7-13(8-6-11)10(2,3)4;1-9(13)10-5-7-12(8-6-10)11(2,3)4;1-5-10-6-8-12(9-7-10)11(2,3)4/h4,8,11H,5-7,9-10H2,1-3H3;4-5,8-9,12H,6-7,10-11H2,1-3H3;11H,7-10H2,1-6H3;6,9-11H,4-5,7-8H2,1-3H3;6-7,10H,4-5,8-9H2,1-3H3,(H,13,14);6,9-10H,4-5,7-8H2,1-3H3;10H,5-9H2,1-4H3,(H,13,15);10,14H,4-9H2,1-3H3;6-9H2,1-5H3;11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;5-8H2,1-4H3;10H,5-8H2,1-4H3;10H,5-9H2,1-4H3 |
| InChIKey | KRDUHJXUWPMAET-UHFFFAOYSA-N |
| XLogP | 34.93 |
| TPSA | 269.86 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2788.50 |
| LogP ≤ 5 | 34.93 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 28 |