C105H168N10O9S — CID 158326558
5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol (PubChem CID 158326558) has the molecular formula C105H168N10O9S and a molecular weight of 1746.63 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol.
| Compound Name | 5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol |
|---|---|
| PubChem CID | 158326558 |
| Molecular Formula | C105H168N10O9S |
| Molecular Weight | 1746.63 g/mol |
| Exact Mass | 1745.27 |
| IUPAC Name | 5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol |
| SMILES | CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OCCCS(C)(=O)=O)nc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCN(C)c1ccc(C(C)(C)C)cn1 |
| InChI | InChI=1S/2C17H27NO.2C16H26N2O.C13H22N2O.C13H21NO3S.C13H19NO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-13(2,3)11-6-7-12(14-10-11)15(4)8-9-16-5;1-13(2,3)11-6-7-12(14-10-11)17-8-5-9-18(4,15)16;1-13(2,3)10-7-8-12(14-9-10)15-11-5-4-6-11/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3;4-6,13,19H,7-12H2,1-3H3;6-7,10H,8-9H2,1-5H3;6-7,10H,5,8-9H2,1-4H3;7-9,11H,4-6H2,1-3H3 |
| InChIKey | GPMBJSVLQACLOI-UHFFFAOYSA-N |
| XLogP | 20.57 |
| TPSA | 180.75 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 125 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1746.63 |
| LogP ≤ 5 | 20.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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