tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine

C180H295F12N24O9S3+ — CID 161370062

IUPACtert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCN(c2cccc(F)n2)CC1.CC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1(F)F.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(F)c[n+]1O.CC(C)(C)c1cccc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CCS(=O)(=O)c1cccc(C(C)(C)C)n1.COc1ccc(C(C)(C)C)cn1.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.C14H27NO2.C13H21N3.C11H17NO2S.C10H18F3N.C10H12F3N.C10H18F2.C10H15NO2S.C10H15NO.C10H15NS.C10H15N.C9H17F2N.C9H13FNO.3C8H14N2.C8H12N2.C8H17NO/c1-14(2,3)11-7-9-17(10-8-11)13-6-4-5-12(15)16-13;1-13(2,3)11-7-9-15(10-8-11)12(16)17-14(4,5)6;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-5-15(13,14)10-8-6-7-9(12-10)11(2,3)4;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;1-9(2,3)8-4-6-10(11,12)7-5-8;1-10(2,3)8-6-5-7-9(11-8)14(4,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;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;1-9(2,3)8-5-4-7(10)6-11(8)12;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;11H,7-10H2,1-6H3;4-7H,8-11H2,1-3H3;6-8H,5H2,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;5-7H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;4-7H2,1-3H3;4-6,12H,1-3H3;3*5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3/q;;;;;;;;;;;;+1;;;;;
InChIKeyQDBDXYADCHWCGH-UHFFFAOYSA-N
MW3263.68 g/mol
LogP44.17
Rot. Bonds7

About tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine

tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 161370062) has the molecular formula C180H295F12N24O9S3+ and a molecular weight of 3263.68 g/mol. Its IUPAC name is tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nametert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
PubChem CID161370062
Molecular FormulaC180H295F12N24O9S3+
Molecular Weight3263.68 g/mol
Exact Mass3261.23
IUPAC Nametert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCN(c2cccc(F)n2)CC1.CC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1(F)F.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(F)c[n+]1O.CC(C)(C)c1cccc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CCS(=O)(=O)c1cccc(C(C)(C)C)n1.COc1ccc(C(C)(C)C)cn1.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.C14H27NO2.C13H21N3.C11H17NO2S.C10H18F3N.C10H12F3N.C10H18F2.C10H15NO2S.C10H15NO.C10H15NS.C10H15N.C9H17F2N.C9H13FNO.3C8H14N2.C8H12N2.C8H17NO/c1-14(2,3)11-7-9-17(10-8-11)13-6-4-5-12(15)16-13;1-13(2,3)11-7-9-15(10-8-11)12(16)17-14(4,5)6;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-5-15(13,14)10-8-6-7-9(12-10)11(2,3)4;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;1-9(2,3)8-4-6-10(11,12)7-5-8;1-10(2,3)8-6-5-7-9(11-8)14(4,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;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;1-9(2,3)8-5-4-7(10)6-11(8)12;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;11H,7-10H2,1-6H3;4-7H,8-11H2,1-3H3;6-8H,5H2,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;5-7H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;4-7H2,1-3H3;4-6,12H,1-3H3;3*5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3/q;;;;;;;;;;;;+1;;;;;
InChIKeyQDBDXYADCHWCGH-UHFFFAOYSA-N
XLogP44.17
TPSA342.19 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds7
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003263.68
LogP ≤ 544.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

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'}

Analyze tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

4-Tert-butyl-1,1-difluorocyclohexane;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-fluoropyridine;2-tert-butyl-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-1-one;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;4-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 159197491
4-Tert-butyl-1,1-difluorocyclohexane;tert-butyl 4-(3,3-dimethylbutyl)piperidine-1-carboxylate;4-(3,3-dimethylbutyl)piperidine;2-(2,2-dimethylpropyl)-6-ethylsulfonylpyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;2-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methylimidazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)pyrimidine
CID 160506713
Cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 167665522

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The IUPAC name of tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine (CID 161370062) is tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine is CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)C1CCN(c2cccc(F)n2)CC1.CC(C)(C)N1CCC(C(F)(F)F)CC1.CC(C)(C)N1CCCCC1(F)F.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCOCC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(F)c[n+]1O.CC(C)(C)c1cccc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CCS(=O)(=O)c1cccc(C(C)(C)C)n1.COc1ccc(C(C)(C)C)cn1.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 tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The InChIKey is QDBDXYADCHWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2.C14H27NO2.C13H21N3.C11H17NO2S.C10H18F3N.C10H12F3N.C10H18F2.C10H15NO2S.C10H15NO.C10H15NS.C10H15N.C9H17F2N.C9H13FNO.3C8H14N2.C8H12N2.C8H17NO/c1-14(2,3)11-7-9-17(10-8-11)13-6-4-5-12(15)16-13;1-13(2,3)11-7-9-15(10-8-11)12(16)17-14(4,5)6;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-5-15(13,14)10-8-6-7-9(12-10)11(2,3)4;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;1-9(2,3)8-4-6-10(11,12)7-5-8;1-10(2,3)8-6-5-7-9(11-8)14(4,12)13;1-10(2,3)8-5-6-9(12-4)11-7-8;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;1-9(2,3)8-5-4-7(10)6-11(8)12;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;11H,7-10H2,1-6H3;4-7H,8-11H2,1-3H3;6-8H,5H2,1-4H3;8H,4-7H2,1-3H3;4-6H,1-3H3;8H,4-7H2,1-3H3;5-7H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;4-7H2,1-3H3;4-6,12H,1-3H3;3*5-6H,1-4H3;4-6H,1-3H3;4-7H2,1-3H3/q;;;;;;;;;;;;+1;;;;;.
What are the key properties of tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine?
tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 3263.68 g/mol, XLogP of 44.17, 7 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butylpiperidine-1-carboxylate;4-tert-butyl-1,1-difluorocyclohexane;1-tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;1-tert-butyl-4-pyridin-2-ylpiperazine;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161370062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).