1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one

C212H379Cl2N19O20S — CID 158876326

IUPAC1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCC[C@H]1C.CC(C)CC(C)(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCC[C@H]1C.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.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/2C13H25NO.C12H17ClO.C12H24N2O.2C12H23NO.C12H17NO.C11H15ClO.C11H18N2O.C11H21NO.C11H17NO.3C11H21NO.C10H19NO2.C10H19NOS.C10H15NO.C10H19NO.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)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;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)5-11(4,14)10-6-12-9(3)13-7-10;1-9(2)8-11(13)12-6-4-10(3)5-7-12;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)8-11(13)12-7-5-4-6-10(12)3;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;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;1-9(2)8-10(12)11-6-4-3-5-7-11;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);4-7,9,14H,8H2,1-3H3;10-11H,4-9H2,1-3H3,(H,13,15);2*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;9-10H,4-8H2,1-3H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;9H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)/t;;;;;11-;;;;;;10-;;;;;;;/m.....1.....1......./s1
InChIKeyJCMBWIFCOIPROR-MEUROPSOSA-N
MW3617.45 g/mol
LogP45.96
Rot. Bonds59

About 1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one

1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 158876326) has the molecular formula C212H379Cl2N19O20S and a molecular weight of 3617.45 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID158876326
Molecular FormulaC212H379Cl2N19O20S
Molecular Weight3617.45 g/mol
Exact Mass3613.83
IUPAC Name1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCC[C@H]1C.CC(C)CC(C)(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCC[C@H]1C.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.Cc1ccc(C(O)CC(C)C)cn1.Cc1ncc(C(C)(O)CC(C)C)cn1
InChIInChI=1S/2C13H25NO.C12H17ClO.C12H24N2O.2C12H23NO.C12H17NO.C11H15ClO.C11H18N2O.C11H21NO.C11H17NO.3C11H21NO.C10H19NO2.C10H19NOS.C10H15NO.C10H19NO.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)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;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)5-11(4,14)10-6-12-9(3)13-7-10;1-9(2)8-11(13)12-6-4-10(3)5-7-12;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)8-11(13)12-7-5-4-6-10(12)3;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;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;1-9(2)8-10(12)11-6-4-3-5-7-11;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);4-7,9,14H,8H2,1-3H3;10-11H,4-9H2,1-3H3,(H,13,15);2*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;9-10H,4-8H2,1-3H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;9H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)/t;;;;;11-;;;;;;10-;;;;;;;/m.....1.....1......./s1
InChIKeyJCMBWIFCOIPROR-MEUROPSOSA-N
XLogP45.96
TPSA493.47 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds59
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003617.45
LogP ≤ 545.96
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one with MolForge

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Related Compounds

3-(4-chlorophenyl)-5-cyclohexyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1S)-2-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-3-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(2R)-1-methoxypropan-2-yl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide;3-(4-chlorophenyl)-5-cyclohexyl-N-[(2-methylpyrimidin-5-yl)methyl]benzamide
CID 160409804
2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 157557240
1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;3-methyl-1-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 157955936
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
1-(4-chlorophenyl)-3-methylbutan-1-ol;1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol;N-(3,3-dimethylbutyl)-1-methylpiperidine-4-carboxamide;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4,4-dimethylpentan-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;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;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 160339843
1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;N-(3-methylbutyl)cyclopentanecarboxamide;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 161148375
4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane
CID 161169298
2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one;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;3-methyl-1-(4-methylphenyl)butan-1-ol;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-phenylbutan-1-ol;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 161811703
1-amino-4-(4-fluorophenyl)-6,6-dimethylheptan-2-one;1-(4-chlorophenyl)-3-methylbutan-1-ol;N-(3,3-dimethylbutyl)benzamide;N-(3,3-dimethylbutyl)-4-methylcyclohexane-1-carboxamide;N-(3,3-dimethylbutyl)-1-methylpiperidine-4-carboxamide;3,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-ol;2-(2,2-dimethylpropyl)-2-phenyl-1,3-dioxolane;4-(2-fluoro-4,4-dimethylpentan-2-yl)pyridine;3-(4-fluorophenyl)-5,5-dimethylhexanoic acid;N-(3-methylbutyl)cyclopentanecarboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-2-(2-methylpyrimidin-5-yl)pentan-2-ol
CID 162121214

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;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;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 158876326) is 1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;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;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;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;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one is CC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCC[C@H]1C.CC(C)CC(C)(O)c1ccc(Cl)cc1.CC(C)CC(O)c1ccc(Cl)cc1.CC(C)CC(O)c1cccnc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCC[C@H]1C.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.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;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is JCMBWIFCOIPROR-MEUROPSOSA-N. The full InChI is InChI=1S/2C13H25NO.C12H17ClO.C12H24N2O.2C12H23NO.C12H17NO.C11H15ClO.C11H18N2O.C11H21NO.C11H17NO.3C11H21NO.C10H19NO2.C10H19NOS.C10H15NO.C10H19NO.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)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;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)5-11(4,14)10-6-12-9(3)13-7-10;1-9(2)8-11(13)12-6-4-10(3)5-7-12;1-8(2)6-11(13)10-5-4-9(3)12-7-10;1-9(2)8-11(13)12-7-5-4-6-10(12)3;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;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;1-9(2)8-10(12)11-6-4-3-5-7-11;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);4-7,9,14H,8H2,1-3H3;10-11H,4-9H2,1-3H3,(H,13,15);2*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);3-6,8,11,13H,7H2,1-2H3;6-8,14H,5H2,1-4H3;9-10H,4-8H2,1-3H3;4-5,7-8,11,13H,6H2,1-3H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;9H,3-8H2,1-2H3;7-8H,5-6H2,1-4H3,(H,10,11)/t;;;;;11-;;;;;;10-;;;;;;;/m.....1.....1......./s1.
What are the key properties of 1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one?
1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 3617.45 g/mol, XLogP of 45.96, 59 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methylbutan-1-ol;2-(4-chlorophenyl)-4-methylpentan-2-ol;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;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;3-methyl-1-[(2R)-2-methylpiperidin-1-yl]butan-1-one;3-methyl-1-(4-methylpiperidin-1-yl)butan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;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-piperidin-1-ylbutan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;3-methyl-1-pyridin-3-ylbutan-1-ol;4-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 158876326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).