1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane

C237H476N18O13S4 — CID 161073726

IUPAC1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane
SMILESCC(C)(C)C1C2CN(C(C)(C)C)CC21.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCOC(C)(C)C.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)Cc1ncc(C(C)(C)C)cn1.CC(C)(C)N1CCC(NS(=O)(=O)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(S(=O)(=O)C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)OC1CCN(C(C)(C)C)CC1.CC(C)(C)OCC1CCN(C(C)(C)C)CC1.CC(C)(C)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.CC(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1.CN(C1CCN(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C15H24.C14H30N2.C14H23NO2S.C14H29NO.C14H29N.C14H22O.C13H28N2O2S.C13H22N2.C13H28N2.C13H27NO.C13H25N.C12H26N2O2S.C12H26N2.C12H25NO2S.C11H24O.C11H24.C10H22O.C10H22.C9H20/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;1-13(2,3)15(7)12-8-10-16(11-9-12)14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-18(16,17)14(4,5)6;1-13(2,3)15-9-7-12(8-10-15)11-16-14(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-12(2,3)15-9-7-11(8-10-15)14-18(16,17)13(4,5)6;1-12(2,3)7-11-14-8-10(9-15-11)13(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6;1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)17(15,16)12(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)16(14,15)13-8-6-11(7-9-13)12(3,4)5;1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-9(2,3)7-8-10(4,5)6;1-8(2,3)7-9(4,5)6/h7-10H,11H2,1-6H3;12H,8-11H2,1-7H3;7-10,15H,1-6H3;12H,7-11H2,1-6H3;12H,7-11H2,1-6H3;7-10H,1-6H3;11,14H,7-10H2,1-6H3;8-9H,7H2,1-6H3;11,14H,7-10H2,1-6H3;11H,7-10H2,1-6H3;9-11H,7-8H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;10-11H,6-9H2,1-5H3;7-9H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3
InChIKeyUEZILXUHPRQZFU-UHFFFAOYSA-N
MW3914.80 g/mol
LogP61.18
Rot. Bonds24

About 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane

1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane (PubChem CID 161073726) has the molecular formula C237H476N18O13S4 and a molecular weight of 3914.80 g/mol. Its IUPAC name is 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane.

Molecular Properties

Compound Name1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane
PubChem CID161073726
Molecular FormulaC237H476N18O13S4
Molecular Weight3914.80 g/mol
Exact Mass3911.60
IUPAC Name1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane
SMILESCC(C)(C)C1C2CN(C(C)(C)C)CC21.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCOC(C)(C)C.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)Cc1ncc(C(C)(C)C)cn1.CC(C)(C)N1CCC(NS(=O)(=O)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(S(=O)(=O)C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)OC1CCN(C(C)(C)C)CC1.CC(C)(C)OCC1CCN(C(C)(C)C)CC1.CC(C)(C)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.CC(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1.CN(C1CCN(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C15H24.C14H30N2.C14H23NO2S.C14H29NO.C14H29N.C14H22O.C13H28N2O2S.C13H22N2.C13H28N2.C13H27NO.C13H25N.C12H26N2O2S.C12H26N2.C12H25NO2S.C11H24O.C11H24.C10H22O.C10H22.C9H20/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;1-13(2,3)15(7)12-8-10-16(11-9-12)14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-18(16,17)14(4,5)6;1-13(2,3)15-9-7-12(8-10-15)11-16-14(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-12(2,3)15-9-7-11(8-10-15)14-18(16,17)13(4,5)6;1-12(2,3)7-11-14-8-10(9-15-11)13(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6;1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)17(15,16)12(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)16(14,15)13-8-6-11(7-9-13)12(3,4)5;1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-9(2,3)7-8-10(4,5)6;1-8(2,3)7-9(4,5)6/h7-10H,11H2,1-6H3;12H,8-11H2,1-7H3;7-10,15H,1-6H3;12H,7-11H2,1-6H3;12H,7-11H2,1-6H3;7-10H,1-6H3;11,14H,7-10H2,1-6H3;8-9H,7H2,1-6H3;11,14H,7-10H2,1-6H3;11H,7-10H2,1-6H3;9-11H,7-8H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;10-11H,6-9H2,1-5H3;7-9H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3
InChIKeyUEZILXUHPRQZFU-UHFFFAOYSA-N
XLogP61.18
TPSA286.70 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003914.80
LogP ≤ 561.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane with MolForge

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Related Compounds

4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 158132613
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;4-tert-butyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-N,N-dimethylpropan-1-amine;4-(4-tert-butylphenyl)-1,4-thiazinane 1,1-dioxide;4-tert-butyl-6-(piperidin-4-ylmethyl)pyrimidine;4-tert-butyl-2-(2-pyridin-3-ylethyl)pyridine;4-tert-butyl-2-(2-pyridin-4-ylethyl)pyridine;N'-(4-tert-butyl-2-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine;4-tert-butyl-6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidine
CID 158646439
6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;3-tert-butyl-5-piperidin-4-yloxypyridine;4-tert-butyl-6-piperidin-4-yloxypyrimidine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide;3-tert-butyl-5-(pyrrolidin-3-ylmethyl)pyridine
CID 157480020
4-tert-butyl-N-cyclobutyl-6-piperidin-1-ylpyridin-2-amine;4-tert-butyl-5-methyl-2-[(1-methylsulfonylazetidin-3-yl)methyl]pyridine;4-tert-butyl-2-(oxetan-3-ylmethyl)pyridine;3-(4-tert-butylphenoxy)-N-propan-2-ylpropan-1-amine;1-[3-(4-tert-butylphenoxy)propyl]azetidine;1-[3-(4-tert-butylphenoxy)propyl]pyrrolidine;bis(3-[(6-tert-butylpyrimidin-4-yl)methyl]-N,N-dimethylcyclobutan-1-amine)
CID 157893479
5-tert-butyl-2-(4-tert-butylpiperazin-1-yl)pyrimidine;N-tert-butyl-1-(5-tert-butylpyrimidin-2-yl)-N-methylpiperidin-4-amine;N-tert-butyl-1-(5-tert-butylpyrimidin-2-yl)piperidin-4-amine;5-tert-butyl-2-[4-(2,2-dimethylpropyl)piperidin-1-yl]pyrimidine;5-(4-tert-butylphenyl)-2-(2-methylpropyl)pyrimidine;1-tert-butyl-4-(4-propan-2-yloxyphenyl)benzene;4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine;1-[(E)-3,3-dimethylbut-1-enyl]-4-(2,2-dimethylpropyl)benzene;1-[(E)-3,3-dimethylbut-1-enyl]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157962047
1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine
CID 159146930
1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-methylpyrimidine;1-(4-tert-butylphenyl)-4-ethylpiperazine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;N-(4-tert-butylphenyl)-N-methyloxan-4-amine;bis(1-(4-tert-butylphenyl)piperidine);1-tert-butyl-4-propoxybenzene;2-tert-butylpyrimidine;4-(3,3-dimethylbut-1-ynyl)-1-ethylpiperidine
CID 160875908

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane?
The IUPAC name of 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane (CID 161073726) is 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane.
What is the SMILES notation for 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane?
The canonical SMILES for 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane is CC(C)(C)C1C2CN(C(C)(C)C)CC21.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CCN(C(C)(C)C)CC1.CC(C)(C)CCC(C)(C)C.CC(C)(C)CCCC(C)(C)C.CC(C)(C)CCCOC(C)(C)C.CC(C)(C)CCOC(C)(C)C.CC(C)(C)Cc1ccc(C(C)(C)C)cc1.CC(C)(C)Cc1ncc(C(C)(C)C)cn1.CC(C)(C)N1CCC(NS(=O)(=O)C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(S(=O)(=O)C(C)(C)C)CC1.CC(C)(C)NC1CCN(C(C)(C)C)CC1.CC(C)(C)OC1CCN(C(C)(C)C)CC1.CC(C)(C)OCC1CCN(C(C)(C)C)CC1.CC(C)(C)Oc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(NS(=O)(=O)C(C)(C)C)cc1.CC(C)S(=O)(=O)N1CCC(C(C)(C)C)CC1.CN(C1CCN(C(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane?
The InChIKey is UEZILXUHPRQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C14H30N2.C14H23NO2S.C14H29NO.C14H29N.C14H22O.C13H28N2O2S.C13H22N2.C13H28N2.C13H27NO.C13H25N.C12H26N2O2S.C12H26N2.C12H25NO2S.C11H24O.C11H24.C10H22O.C10H22.C9H20/c1-14(2,3)11-12-7-9-13(10-8-12)15(4,5)6;1-13(2,3)15(7)12-8-10-16(11-9-12)14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-18(16,17)14(4,5)6;1-13(2,3)15-9-7-12(8-10-15)11-16-14(4,5)6;1-13(2,3)11-12-7-9-15(10-8-12)14(4,5)6;1-13(2,3)11-7-9-12(10-8-11)15-14(4,5)6;1-12(2,3)15-9-7-11(8-10-15)14-18(16,17)13(4,5)6;1-12(2,3)7-11-14-8-10(9-15-11)13(4,5)6;1-12(2,3)14-11-7-9-15(10-8-11)13(4,5)6;1-12(2,3)14-9-7-11(8-10-14)15-13(4,5)6;1-12(2,3)11-9-7-14(8-10(9)11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)17(15,16)12(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-10(2)16(14,15)13-8-6-11(7-9-13)12(3,4)5;1-10(2,3)8-7-9-12-11(4,5)6;1-10(2,3)8-7-9-11(4,5)6;1-9(2,3)7-8-11-10(4,5)6;1-9(2,3)7-8-10(4,5)6;1-8(2,3)7-9(4,5)6/h7-10H,11H2,1-6H3;12H,8-11H2,1-7H3;7-10,15H,1-6H3;12H,7-11H2,1-6H3;12H,7-11H2,1-6H3;7-10H,1-6H3;11,14H,7-10H2,1-6H3;8-9H,7H2,1-6H3;11,14H,7-10H2,1-6H3;11H,7-10H2,1-6H3;9-11H,7-8H2,1-6H3;7-10H2,1-6H3;7-10H2,1-6H3;10-11H,6-9H2,1-5H3;7-9H2,1-6H3;7-9H2,1-6H3;7-8H2,1-6H3;7-8H2,1-6H3;7H2,1-6H3.
What are the key properties of 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane?
1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane has a molecular weight of 3914.80 g/mol, XLogP of 61.18, 24 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-tert-butylsulfonylpiperazine;1-tert-butyl-4-(2,2-dimethylpropyl)benzene;1-tert-butyl-4-(2,2-dimethylpropyl)piperidine;5-tert-butyl-2-(2,2-dimethylpropyl)pyrimidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]benzene;1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine;N-(4-tert-butylphenyl)-2-methylpropane-2-sulfonamide;N-(1-tert-butylpiperidin-4-yl)-2-methylpropane-2-sulfonamide;4-tert-butyl-1-propan-2-ylsulfonylpiperidine;3,6-ditert-butyl-3-azabicyclo[3.1.0]hexane;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,4,4-tetramethylpentane is sourced from PubChem (CID 161073726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).