1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate

C172H273F12N26O9S4+ — CID 159404731

IUPAC1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate
SMILESCC(C)(C)C1CCN(c2cccc(F)n2)CC1.CC(C)(C)N1CC2CC1CN2c1ccccn1.CC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1(F)F.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(C(F)(F)F)c[n+]1O.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccncn1.CC1CN(c2ccccn2)CCN1C(C)(C)C.CCS(=O)(=O)c1cccc(C(C)(C)C)n1.COS(=O)(=O)c1cccc(C(C)(C)C)n1.CSc1cccc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.Cn1ccnc1C(C)(C)C.Cn1cncc1C(C)(C)C
InChIInChI=1S/C14H21FN2.C14H21N3.C14H23N3.C11H17NO2S.C10H13F3NO.C10H18F3N.C10H12F3N.C10H15NO3S.C10H15NO2S.C10H15NS.C10H15N.C9H17F2N.3C8H14N2.C8H12N2.C8H17NO/c1-14(2,3)11-7-9-17(10-8-11)13-6-4-5-12(15)16-13;1-14(2,3)17-10-11-8-12(17)9-16(11)13-6-4-5-7-15-13;1-12-11-16(13-7-5-6-8-15-13)9-10-17(12)14(2,3)4;1-5-15(13,14)10-8-6-7-9(12-10)11(2,3)4;1-9(2,3)8-5-4-7(6-14(8)15)10(11,12)13;1-9(2,3)14-6-4-8(5-7-14)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)8-6-5-7-9(11-8)15(12,13)14-4;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2,3)12-7-5-4-6-9(12,10)11;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9/h4-6,11H,7-10H2,1-3H3;4-7,11-12H,8-10H2,1-3H3;5-8,12H,9-11H2,1-4H3;6-8H,5H2,1-4H3;4-6,15H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H2,1-3H3;3*5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3/q;;;;+1;;;;;;;;;;;;
InChIKeyNVFOSJMJULKAEO-UHFFFAOYSA-N
MW3205.49 g/mol
LogP39.37
Rot. Bonds9

About 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate

1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate (PubChem CID 159404731) has the molecular formula C172H273F12N26O9S4+ and a molecular weight of 3205.49 g/mol. Its IUPAC name is 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate.

Molecular Properties

Compound Name1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate
PubChem CID159404731
Molecular FormulaC172H273F12N26O9S4+
Molecular Weight3205.49 g/mol
Exact Mass3203.04
IUPAC Name1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate
SMILESCC(C)(C)C1CCN(c2cccc(F)n2)CC1.CC(C)(C)N1CC2CC1CN2c1ccccn1.CC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1(F)F.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(C(F)(F)F)c[n+]1O.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccncn1.CC1CN(c2ccccn2)CCN1C(C)(C)C.CCS(=O)(=O)c1cccc(C(C)(C)C)n1.COS(=O)(=O)c1cccc(C(C)(C)C)n1.CSc1cccc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.Cn1ccnc1C(C)(C)C.Cn1cncc1C(C)(C)C
InChIInChI=1S/C14H21FN2.C14H21N3.C14H23N3.C11H17NO2S.C10H13F3NO.C10H18F3N.C10H12F3N.C10H15NO3S.C10H15NO2S.C10H15NS.C10H15N.C9H17F2N.3C8H14N2.C8H12N2.C8H17NO/c1-14(2,3)11-7-9-17(10-8-11)13-6-4-5-12(15)16-13;1-14(2,3)17-10-11-8-12(17)9-16(11)13-6-4-5-7-15-13;1-12-11-16(13-7-5-6-8-15-13)9-10-17(12)14(2,3)4;1-5-15(13,14)10-8-6-7-9(12-10)11(2,3)4;1-9(2,3)8-5-4-7(6-14(8)15)10(11,12)13;1-9(2,3)14-6-4-8(5-7-14)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)8-6-5-7-9(11-8)15(12,13)14-4;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2,3)12-7-5-4-6-9(12,10)11;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9/h4-6,11H,7-10H2,1-3H3;4-7,11-12H,8-10H2,1-3H3;5-8,12H,9-11H2,1-4H3;6-8H,5H2,1-4H3;4-6,15H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H2,1-3H3;3*5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3/q;;;;+1;;;;;;;;;;;;
InChIKeyNVFOSJMJULKAEO-UHFFFAOYSA-N
XLogP39.37
TPSA366.16 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds9
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003205.49
LogP ≤ 539.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate with MolForge

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Related Compounds

2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,6-dimethylimidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,6-dimethylimidazo[4,5-c]pyridine
CID 157319668
2-[2-(1-Cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;2-[2-(6-cyclopropyl-3-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(2-fluorophenyl)pyrrole-3-carbonitrile;1-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-4-(4-fluorophenyl)pyrrole-3-carbonitrile;1-[3-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]phenyl]cyclopropane-1-carbonitrile;4-[6-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-2-pyridinyl]morpholine
CID 157441359
2-(2,2-Dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine
CID 158750628
4-(3,3-Dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-methylpyridine;2-(2,2-dimethylpropyl)-6-methylsulfanylpyridine;2-(2,2-dimethylpropyl)-1-oxidopyridin-1-ium;4-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)pyridine
CID 159531993
4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;2-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-5-pyridin-3-ylpyridine;2-propan-2-yl-5-pyridin-4-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-yl-7H-pyrrolo[3,4-b]pyridine
CID 159625555
1-Tert-butyl-2,2-difluoropiperidine;4-tert-butyl-2-ethylsulfonylpyrimidine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;4-tert-butyl-2-methylsulfanylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 160207043
diethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-lambda4-sulfane;ethyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-methylidene-lambda6-sulfane;[5-ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane;2-[2-ethylsulfonyl-4-[(4-methylidene-1,4-oxathian-4-ylidene)amino]phenyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[3-ethylsulfonyl-5-(1,4-oxathian-4-ylideneamino)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-lambda6-sulfane;[5-ethylsulfonyl-6-[6-(trifluoromethyl)-3H-pyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]imino-dimethyl-lambda4-sulfane;methane
CID 161001849
1-Tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 161083059
5-Cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyridine;5-ethylsulfonyl-4-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-4-[1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)imidazol-2-yl]pyrimidin-2-yl]-1,2,4-triazol-3-amine
CID 163838809
5-(3,5-Difluorophenyl)-3-ethylsulfonyl-2-[5-(1,2,2,3,3,3-hexafluoropropyl)-1-methylimidazol-2-yl]pyridine;2-[5-ethylsulfonyl-6-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-2-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-3-pyridinyl]pyrimidine;3-ethylsulfonyl-2-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine;2-[5-ethylsulfonyl-6-[1-methyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-3-pyridinyl]pyrimidine
CID 163843998
5-Cyclopropyl-3-ethylsulfonyl-2-[1-methyl-5-(1,2,2,3,3,4,4,4-octafluorobutyl)imidazol-2-yl]pyridine;3-ethylsulfonyl-2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-5-pyridin-2-ylpyridine;2-[5-ethylsulfonyl-6-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[5-(1,2,2,3,3,3-hexafluoropropyl)-1-methylimidazol-2-yl]-3-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-(1,2,2,3,3,4,4,4-octafluorobutyl)imidazol-2-yl]-3-pyridinyl]pyrimidine
CID 163933794
1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane
CID 157410265

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate?
The IUPAC name of 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate (CID 159404731) is 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate.
What is the SMILES notation for 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate?
The canonical SMILES for 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate is CC(C)(C)C1CCN(c2cccc(F)n2)CC1.CC(C)(C)N1CC2CC1CN2c1ccccn1.CC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1(F)F.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(C(F)(F)F)c[n+]1O.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccncn1.CC1CN(c2ccccn2)CCN1C(C)(C)C.CCS(=O)(=O)c1cccc(C(C)(C)C)n1.COS(=O)(=O)c1cccc(C(C)(C)C)n1.CSc1cccc(C(C)(C)C)n1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cn1.Cn1ccnc1C(C)(C)C.Cn1cncc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate?
The InChIKey is NVFOSJMJULKAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2.C14H21N3.C14H23N3.C11H17NO2S.C10H13F3NO.C10H18F3N.C10H12F3N.C10H15NO3S.C10H15NO2S.C10H15NS.C10H15N.C9H17F2N.3C8H14N2.C8H12N2.C8H17NO/c1-14(2,3)11-7-9-17(10-8-11)13-6-4-5-12(15)16-13;1-14(2,3)17-10-11-8-12(17)9-16(11)13-6-4-5-7-15-13;1-12-11-16(13-7-5-6-8-15-13)9-10-17(12)14(2,3)4;1-5-15(13,14)10-8-6-7-9(12-10)11(2,3)4;1-9(2,3)8-5-4-7(6-14(8)15)10(11,12)13;1-9(2,3)14-6-4-8(5-7-14)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)8-6-5-7-9(11-8)15(12,13)14-4;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2,3)12-7-5-4-6-9(12,10)11;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)9-4-6-10-7-5-9/h4-6,11H,7-10H2,1-3H3;4-7,11-12H,8-10H2,1-3H3;5-8,12H,9-11H2,1-4H3;6-8H,5H2,1-4H3;4-6,15H,1-3H3;8H,4-7H2,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-7H2,1-3H3;3*5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3/q;;;;+1;;;;;;;;;;;;.
What are the key properties of 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate?
1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate has a molecular weight of 3205.49 g/mol, XLogP of 39.37, 9 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate is sourced from PubChem (CID 159404731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).