1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one

C191H320ClFN14O20S — CID 159246538

About 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one

1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 159246538) has the molecular formula C191H320ClFN14O20S and a molecular weight of 3219.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
• PubChem CID: 159246538
• Molecular Formula: C191H320ClFN14O20S
• Molecular Weight: 3219.26 g/mol
• Exact Mass: 3216.38
• IUPAC Name: 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
• SMILES: CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
• InChI: InChI=1S/2C13H25NO.C13H20O3.C13H20O.C12H24N2O.C12H17NO.C11H15ClO.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO.C9H19NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9;1-7(2)5-6-10-9(11)8(3)4/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;10-11H,4-9H2,1-3H3,(H,13,15);3-7,10H,8-9H2,1-2H3,(H,13,14);2*3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)
• InChIKey: KUTDXPYQTMVBPV-UHFFFAOYSA-N
• XLogP: 41.52
• TPSA: 483.88 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 58
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3219.26
LogP ≤ 5	41.52
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?

The IUPAC name of 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 159246538) is 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one.

What is the SMILES notation for 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?

The canonical SMILES for 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one is CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccccc1.CC(C)CC(O)c1ccccc1F.CC(C)CC(O)c1ccccn1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccccc1.COc1ccc(C(O)CC(C)C)cc1OC.Cc1ccc(C(C)(O)CC(C)C)cc1.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1.

What is the InChIKey of 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?

The InChIKey is KUTDXPYQTMVBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25NO.C13H20O3.C13H20O.C12H24N2O.C12H17NO.C11H15ClO.C11H15FO.C11H18N2O.C11H17NO.C11H21NO.C11H16O.C10H19NO2.C10H19NOS.2C10H15NO.C9H19NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;1-10(2)9-13(4,14)12-7-5-11(3)6-8-12;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-8(2)7-11(13)9-5-3-4-6-10(9)12;1-8(2)5-11(4,14)10-6-12-9(3)13-7-10;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)6-10(12)9-4-3-5-11-7-9;1-8(2)7-10(12)9-5-3-4-6-11-9;1-7(2)5-6-10-9(11)8(3)4/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);5-6,8-9,11,14H,7H2,1-4H3;5-8,10,14H,9H2,1-4H3;10-11H,4-9H2,1-3H3,(H,13,15);3-7,10H,8-9H2,1-2H3,(H,13,14);2*3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,3-8H2,1-2H3,(H,12,13);3-7,9,11-12H,8H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;3-6,8,10,12H,7H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11).

What are the key properties of 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?

1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 3219.26 g/mol, XLogP of 41.52, 58 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(2-fluorophenyl)-3-methylbutan-1-ol;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(4-methylphenyl)pentan-2-ol;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-pyridin-2-ylbutan-1-ol;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 159246538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).