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

C173H339N17O11S4 — CID 159146930

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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine
SMILESCC(C)(C)CC1CCN(C(C)(C)C)CC1.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.C12H26N2O2S.C12H26N2.C12H25NO2S/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;1-11(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/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;7-10H2,1-6H3;7-10H2,1-6H3;10-11H,6-9H2,1-5H3
InChIKeyKIUKOPNDTJFUJN-UHFFFAOYSA-N
MW2961.99 g/mol
LogP39.73
Rot. Bonds16

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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine

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 (PubChem CID 159146930) has the molecular formula C173H339N17O11S4 and a molecular weight of 2961.99 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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine.

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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine
PubChem CID159146930
Molecular FormulaC173H339N17O11S4
Molecular Weight2961.99 g/mol
Exact Mass2959.54
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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine
SMILESCC(C)(C)CC1CCN(C(C)(C)C)CC1.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.C12H26N2O2S.C12H26N2.C12H25NO2S/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;1-11(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/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;7-10H2,1-6H3;7-10H2,1-6H3;10-11H,6-9H2,1-5H3
InChIKeyKIUKOPNDTJFUJN-UHFFFAOYSA-N
XLogP39.73
TPSA265.00 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002961.99
LogP ≤ 539.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;bis(1-(4-propan-2-ylphenyl)piperazine);4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 157878844
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
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 158304126
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;1-(methylsulfonylmethyl)-4-propan-2-ylbenzene;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 160735769
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
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
N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;1-(2-methoxyethyl)-4-(4-propan-2-ylphenyl)piperazine;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylphenyl)piperazine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;2-piperidin-1-yl-5-propan-2-ylpyridine;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;N-(4-propan-2-ylphenyl)methanesulfonamide;(3-propan-2-ylphenyl)methanol;(4-propan-2-ylphenyl)methanol;4-[(4-propan-2-ylphenyl)methyl]morpholine;4-(4-propan-2-ylphenyl)morpholine;4-(4-propan-2-ylphenyl)oxane;1-(4-propan-2-ylphenyl)piperazine;4-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 161456969

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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine?
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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine (CID 159146930) 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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine.
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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine?
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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine is CC(C)(C)CC1CCN(C(C)(C)C)CC1.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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine?
The InChIKey is KIUKOPNDTJFUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C14H30N2.C14H23NO2S.C14H29NO.C14H29N.C14H22O.C13H28N2O2S.C13H22N2.C13H28N2.C13H27NO.C12H26N2O2S.C12H26N2.C12H25NO2S/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;1-11(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/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;7-10H2,1-6H3;7-10H2,1-6H3;10-11H,6-9H2,1-5H3.
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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine?
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 has a molecular weight of 2961.99 g/mol, XLogP of 39.73, 16 rotatable bonds, 3 hydrogen bond donors, and 24 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;N,1-ditert-butyl-N-methylpiperidin-4-amine;1,4-ditert-butylpiperazine;N,1-ditert-butylpiperidin-4-amine is sourced from PubChem (CID 159146930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).