C249H496N22O30S6 — CID 167654554
tert-butyl 2-tert-butylmorpholine-4-carboxylate;tert-butyl 3-tert-butylpiperidine-1-carboxylate;3-tert-butyl-1-cyclobutylsulfonylpiperidine;3-tert-butyl-1-cyclopropylsulfonylpiperidine;4-tert-butyl-1-ethylpiperidine;3-tert-butyl-1-ethylsulfonylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;2-tert-butylmorpholine;1-(2-tert-butylmorpholin-4-yl)ethanone;4-tert-butylpiperidine;1-(3-tert-butylpiperidin-1-yl)butan-1-one;1-(3-tert-butylpiperidin-1-yl)-3-(dimethylamino)propan-1-one;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(3-tert-butylpiperidin-1-yl)-2-methoxyethanone;1-(3-tert-butylpiperidin-1-yl)-3-methoxypropan-1-one;(3-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone;1-(3-tert-butylpiperidin-1-yl)pentan-1-one;4-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylsulfonylpiperidine;3-tert-butyl-1-propylsulfonylpiperidine (PubChem CID 167654554) has the molecular formula C249H496N22O30S6 and a molecular weight of 4471.23 g/mol. Its IUPAC name is tert-butyl 2-tert-butylmorpholine-4-carboxylate;tert-butyl 3-tert-butylpiperidine-1-carboxylate;3-tert-butyl-1-cyclobutylsulfonylpiperidine;3-tert-butyl-1-cyclopropylsulfonylpiperidine;4-tert-butyl-1-ethylpiperidine;3-tert-butyl-1-ethylsulfonylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;2-tert-butylmorpholine;1-(2-tert-butylmorpholin-4-yl)ethanone;4-tert-butylpiperidine;1-(3-tert-butylpiperidin-1-yl)butan-1-one;1-(3-tert-butylpiperidin-1-yl)-3-(dimethylamino)propan-1-one;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(3-tert-butylpiperidin-1-yl)-2-methoxyethanone;1-(3-tert-butylpiperidin-1-yl)-3-methoxypropan-1-one;(3-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone;1-(3-tert-butylpiperidin-1-yl)pentan-1-one;4-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylsulfonylpiperidine;3-tert-butyl-1-propylsulfonylpiperidine.
| Compound Name | tert-butyl 2-tert-butylmorpholine-4-carboxylate;tert-butyl 3-tert-butylpiperidine-1-carboxylate;3-tert-butyl-1-cyclobutylsulfonylpiperidine;3-tert-butyl-1-cyclopropylsulfonylpiperidine;4-tert-butyl-1-ethylpiperidine;3-tert-butyl-1-ethylsulfonylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;2-tert-butylmorpholine;1-(2-tert-butylmorpholin-4-yl)ethanone;4-tert-butylpiperidine;1-(3-tert-butylpiperidin-1-yl)butan-1-one;1-(3-tert-butylpiperidin-1-yl)-3-(dimethylamino)propan-1-one;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(3-tert-butylpiperidin-1-yl)-2-methoxyethanone;1-(3-tert-butylpiperidin-1-yl)-3-methoxypropan-1-one;(3-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone;1-(3-tert-butylpiperidin-1-yl)pentan-1-one;4-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylsulfonylpiperidine;3-tert-butyl-1-propylsulfonylpiperidine |
|---|---|
| PubChem CID | 167654554 |
| Molecular Formula | C249H496N22O30S6 |
| Molecular Weight | 4471.23 g/mol |
| Exact Mass | 4467.63 |
| IUPAC Name | tert-butyl 2-tert-butylmorpholine-4-carboxylate;tert-butyl 3-tert-butylpiperidine-1-carboxylate;3-tert-butyl-1-cyclobutylsulfonylpiperidine;3-tert-butyl-1-cyclopropylsulfonylpiperidine;4-tert-butyl-1-ethylpiperidine;3-tert-butyl-1-ethylsulfonylpiperidine;4-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylsulfonylpiperidine;2-tert-butylmorpholine;1-(2-tert-butylmorpholin-4-yl)ethanone;4-tert-butylpiperidine;1-(3-tert-butylpiperidin-1-yl)butan-1-one;1-(3-tert-butylpiperidin-1-yl)-3-(dimethylamino)propan-1-one;2-(4-tert-butylpiperidin-1-yl)ethanol;1-(3-tert-butylpiperidin-1-yl)-2-methoxyethanone;1-(3-tert-butylpiperidin-1-yl)-3-methoxypropan-1-one;(3-tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone;1-(3-tert-butylpiperidin-1-yl)pentan-1-one;4-tert-butyl-1-propan-2-ylpiperidine;3-tert-butyl-1-propan-2-ylsulfonylpiperidine;3-tert-butyl-1-propylsulfonylpiperidine |
| SMILES | CC(=O)N1CCOC(C(C)(C)C)C1.CC(C)(C)C1CCCN(C(=O)C2CCOCC2)C1.CC(C)(C)C1CCCN(S(=O)(=O)C2CC2)C1.CC(C)(C)C1CCCN(S(=O)(=O)C2CCC2)C1.CC(C)(C)C1CCCN(S(C)(=O)=O)C1.CC(C)(C)C1CCN(CCO)CC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CNCCO1.CC(C)(C)OC(=O)N1CCCC(C(C)(C)C)C1.CC(C)(C)OC(=O)N1CCOC(C(C)(C)C)C1.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)S(=O)(=O)N1CCCC(C(C)(C)C)C1.CCCC(=O)N1CCCC(C(C)(C)C)C1.CCCCC(=O)N1CCCC(C(C)(C)C)C1.CCCS(=O)(=O)N1CCCC(C(C)(C)C)C1.CCN1CCC(C(C)(C)C)CC1.CCS(=O)(=O)N1CCCC(C(C)(C)C)C1.CN(C)CCC(=O)N1CCCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.COCC(=O)N1CCCC(C(C)(C)C)C1.COCCC(=O)N1CCCC(C(C)(C)C)C1 |
| InChI | InChI=1S/C15H27NO2.C14H28N2O.C14H27NO2.C14H27NO.C13H25NO3.C13H25NO2S.C13H25NO2.C13H25NO.C12H23NO2S.2C12H25NO2S.C12H23NO2.C12H25N.C11H23NO2S.C11H23NO.C11H23N.C10H21NO2S.C10H19NO2.C10H21N.C9H19N.C8H17NO/c1-15(2,3)13-5-4-8-16(11-13)14(17)12-6-9-18-10-7-12;1-14(2,3)12-7-6-9-16(11-12)13(17)8-10-15(4)5;1-13(2,3)11-8-7-9-15(10-11)12(16)17-14(4,5)6;1-5-6-9-13(16)15-10-7-8-12(11-15)14(2,3)4;1-12(2,3)10-9-14(7-8-16-10)11(15)17-13(4,5)6;1-13(2,3)11-6-5-9-14(10-11)17(15,16)12-7-4-8-12;1-13(2,3)11-6-5-8-14(10-11)12(15)7-9-16-4;1-5-7-12(15)14-9-6-8-11(10-14)13(2,3)4;1-12(2,3)10-5-4-8-13(9-10)16(14,15)11-6-7-11;1-10(2)16(14,15)13-8-6-7-11(9-13)12(3,4)5;1-5-9-16(14,15)13-8-6-7-11(10-13)12(2,3)4;1-12(2,3)10-6-5-7-13(8-10)11(14)9-15-4;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-5-15(13,14)12-8-6-7-10(9-12)11(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-13;1-5-12-8-6-10(7-9-12)11(2,3)4;1-10(2,3)9-6-5-7-11(8-9)14(4,12)13;1-8(12)11-5-6-13-9(7-11)10(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-6-9-4-5-10-7/h12-13H,4-11H2,1-3H3;12H,6-11H2,1-5H3;11H,7-10H2,1-6H3;12H,5-11H2,1-4H3;10H,7-9H2,1-6H3;11-12H,4-10H2,1-3H3;11H,5-10H2,1-4H3;11H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;10-11H,6-9H2,1-5H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3;10-11H,6-9H2,1-5H3;10H,5-9H2,1-4H3;10,13H,4-9H2,1-3H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,5-7H2,1-4H3;9H,5-8H2,1-4H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3 |
| InChIKey | RBJOUOPQTXKOPP-UHFFFAOYSA-N |
| XLogP | 50.02 |
| TPSA | 541.40 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 307 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4471.23 |
| LogP ≤ 5 | 50.02 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 37 |