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;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one

C181H329Cl2N15O21S4 — CID 159225108

IUPAC1-(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;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1(C)C.CC(C)CC(=O)N1CCCC[C@H]1C.CC(C)CC(=O)N1CCS(=O)(=O)CC1.CC(C)CC(=O)N1CCS(=O)CC1.CC(C)CC(=O)N1CCSCC1.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
InChIInChI=1S/C13H25NO.C12H17ClO.3C12H23NO.C11H15ClO.3C11H21NO.C10H19NO2.C10H19NOS.C10H15NO.C10H19NO.C9H17NO3S.C9H17NO2S.C9H17NOS.C9H17NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)9-11(14)13-8-6-5-7-12(13,3)4;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;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-6-4-10(3)5-7-12;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;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;1-8(2)7-9(11)10-3-5-14(12,13)6-4-10;1-8(2)7-9(11)10-3-5-13(12)6-4-10;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9(11)10-5-3-4-6-10/h11H,5-10H2,1-4H3;4-7,9,14H,8H2,1-3H3;10H,5-9H2,1-4H3;2*10-11H,4-9H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;2*9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3/t;;;;11-;;;10-;;;;;;;;;/m....1..1........./s1
InChIKeyKSELXQAUZCPPEJ-TTWLFGFTSA-N
MW3250.88 g/mol
LogP37.38
Rot. Bonds43

About 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;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 159225108) has the molecular formula C181H329Cl2N15O21S4 and a molecular weight of 3250.88 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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID159225108
Molecular FormulaC181H329Cl2N15O21S4
Molecular Weight3250.88 g/mol
Exact Mass3247.34
IUPAC Name1-(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;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1(C)C.CC(C)CC(=O)N1CCCC[C@H]1C.CC(C)CC(=O)N1CCS(=O)(=O)CC1.CC(C)CC(=O)N1CCS(=O)CC1.CC(C)CC(=O)N1CCSCC1.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
InChIInChI=1S/C13H25NO.C12H17ClO.3C12H23NO.C11H15ClO.3C11H21NO.C10H19NO2.C10H19NOS.C10H15NO.C10H19NO.C9H17NO3S.C9H17NO2S.C9H17NOS.C9H17NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)9-11(14)13-8-6-5-7-12(13,3)4;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;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-6-4-10(3)5-7-12;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;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;1-8(2)7-9(11)10-3-5-14(12,13)6-4-10;1-8(2)7-9(11)10-3-5-13(12)6-4-10;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9(11)10-5-3-4-6-10/h11H,5-10H2,1-4H3;4-7,9,14H,8H2,1-3H3;10H,5-9H2,1-4H3;2*10-11H,4-9H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;2*9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3/t;;;;11-;;;10-;;;;;;;;;/m....1..1........./s1
InChIKeyKSELXQAUZCPPEJ-TTWLFGFTSA-N
XLogP37.38
TPSA418.36 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds43
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003250.88
LogP ≤ 537.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 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;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one with MolForge

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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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one (CID 159225108) is 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;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one is CC(C)CC(=O)N1CCC(C)CC1.CC(C)CC(=O)N1CCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1(C)C.CC(C)CC(=O)N1CCCC[C@H]1C.CC(C)CC(=O)N1CCS(=O)(=O)CC1.CC(C)CC(=O)N1CCS(=O)CC1.CC(C)CC(=O)N1CCSCC1.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.
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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is KSELXQAUZCPPEJ-TTWLFGFTSA-N. The full InChI is InChI=1S/C13H25NO.C12H17ClO.3C12H23NO.C11H15ClO.3C11H21NO.C10H19NO2.C10H19NOS.C10H15NO.C10H19NO.C9H17NO3S.C9H17NO2S.C9H17NOS.C9H17NO/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-9(2)8-12(3,14)10-4-6-11(13)7-5-10;1-10(2)9-11(14)13-8-6-5-7-12(13,3)4;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;1-8(2)7-11(13)9-3-5-10(12)6-4-9;1-9(2)8-11(13)12-6-4-10(3)5-7-12;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;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;1-8(2)7-9(11)10-3-5-14(12,13)6-4-10;1-8(2)7-9(11)10-3-5-13(12)6-4-10;1-8(2)7-9(11)10-3-5-12-6-4-10;1-8(2)7-9(11)10-5-3-4-6-10/h11H,5-10H2,1-4H3;4-7,9,14H,8H2,1-3H3;10H,5-9H2,1-4H3;2*10-11H,4-9H2,1-3H3;3-6,8,11,13H,7H2,1-2H3;2*9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;2*9H,3-8H2,1-2H3;3-5,7-8,10,12H,6H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3;8H,3-7H2,1-2H3/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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 3250.88 g/mol, XLogP of 37.38, 43 rotatable bonds, 3 hydrogen bond donors, and 24 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)-3-methylbutan-1-one;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one;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;4-methyl-1-morpholin-4-ylpentan-1-one;3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-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;3-methyl-1-pyrrolidin-1-ylbutan-1-one;3-methyl-1-thiomorpholin-4-ylbutan-1-one;4-methyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 159225108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).