1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane

C219H347BrN22O12 — CID 161015124

IUPAC1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CC(C)(C)c1cnc2cc(O)ccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C22H29NO.C21H28N2O.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H19N3.C14H21NO2.C13H15NO.C13H15N.C11H13BrN2.C11H19N3.13CH4/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-21(2,3)18-4-6-19(7-5-18)24-20-10-14-23(15-11-20)16-17-8-12-22-13-9-17;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12;1-13(2,3)10-6-9-4-5-11(15)7-12(9)14-8-10;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12;;;;;;;;;;;;;/h4-12,21H,13-17H2,1-3H3;4-9,12-13,20H,10-11,14-16H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3;4-8,15H,1-3H3;4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14);13*1H4
InChIKeyTXPUUJLUVRTOOK-UHFFFAOYSA-N
MW3560.23 g/mol
LogP53.18
Rot. Bonds30

About 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane

1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane (PubChem CID 161015124) has the molecular formula C219H347BrN22O12 and a molecular weight of 3560.23 g/mol. Its IUPAC name is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane.

Molecular Properties

Compound Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane
PubChem CID161015124
Molecular FormulaC219H347BrN22O12
Molecular Weight3560.23 g/mol
Exact Mass3556.64
IUPAC Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CC(C)(C)c1cnc2cc(O)ccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C22H29NO.C21H28N2O.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H19N3.C14H21NO2.C13H15NO.C13H15N.C11H13BrN2.C11H19N3.13CH4/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-21(2,3)18-4-6-19(7-5-18)24-20-10-14-23(15-11-20)16-17-8-12-22-13-9-17;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12;1-13(2,3)10-6-9-4-5-11(15)7-12(9)14-8-10;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12;;;;;;;;;;;;;/h4-12,21H,13-17H2,1-3H3;4-9,12-13,20H,10-11,14-16H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3;4-8,15H,1-3H3;4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14);13*1H4
InChIKeyTXPUUJLUVRTOOK-UHFFFAOYSA-N
XLogP53.18
TPSA376.39 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003560.23
LogP ≤ 553.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol
CID 161124583
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine
CID 160549475
6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
CID 159548016
4-(1-benzylpiperidin-4-yl)oxy-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;(4S)-1-[2-(cyclobutylamino)-6-methoxy-4-pyridinyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;2-[cyclobutyl(methyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclohexylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;2-(cyclopentylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-hydroxynaphthalene-1-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(2-methoxyethyl)piperidin-4-yl]oxybenzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 159401127
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butylquinoline;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;4-tert-butyl-2-(6,6,6-trifluorohexyl)pyridine
CID 162258240
4-tert-butyl-2-(cyclobutylmethyl)pyridine;4-tert-butyl-2-(2-cyclopropylethyl)pyridine;3-tert-butyl-5-(oxan-4-yloxy)pyridine;3-(4-tert-butylphenoxy)-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl-methylamino]propan-2-one;4-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]-N,N-dimethylbutanamide;4-tert-butyl-2-(2-pyridin-2-ylethyl)pyridine;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;methane
CID 157271261
6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;4-tert-butyl-2-[(1-methylpyrrolidin-3-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine;4-tert-butyl-6-(oxan-4-yloxy)pyrimidine;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 158436827
[4-[[2-[[6-[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]-1H-benzimidazol-2-yl]methyl]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone
CID 161254189
[4-[[2-[[6-[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]-cyclopropylmethanone
CID 129261725
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;2-tert-butyl-6-methoxynaphthalene;3-tert-butyl-1-methylindole;[4-[(3-tert-butylphenyl)methyl]-1-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;N-[2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]ethanone;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 161492176
N-[(2R)-2-hydroxy-2-(7-hydroxy-3,4-dihydroisoquinolin-3-yl)ethyl]-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 175866501
5-[4-[3-bromo-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-6-(trifluoromethyl)-1H-pyridin-2-one;6-[4-[6-(ethylamino)-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-(oxan-4-yloxy)phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[3-[6-[1-(2-methoxyethyl)piperidin-4-yl]-3-pyridinyl]-6-(methylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;5-[4-[6-(methylamino)-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-6-(trifluoromethyl)-1H-pyridin-2-one
CID 163778510

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane?
The IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane (CID 161015124) is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane.
What is the SMILES notation for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane?
The canonical SMILES for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.CC(C)(C)c1ccnc(Cc2cc(C(C)(C)C)n[nH]2)c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1ccnc(OC2CCOCC2)c1.CC(C)(C)c1cnc2cc(O)ccc2c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.CN(c1cc(C(C)(C)C)ccn1)C1CCOCC1.COCCN1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.Cn1nccc1Cc1cc(C(C)(C)C)ccn1.
What is the InChIKey of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane?
The InChIKey is TXPUUJLUVRTOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.C21H28N2O.C20H31NO2.C18H29NO2.C17H25N3.C17H27NO2.C15H24N2O.C14H19N3.C14H21NO2.C13H15NO.C13H15N.C11H13BrN2.C11H19N3.13CH4/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-21(2,3)18-4-6-19(7-5-18)24-20-10-14-23(15-11-20)16-17-8-12-22-13-9-17;1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-18(2,3)15-5-7-16(8-6-15)21-17-9-11-19(12-10-17)13-14-20-4;1-16(2,3)12-7-8-18-13(9-12)10-14-11-15(20-19-14)17(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-15(2,3)12-5-8-16-14(11-12)17(4)13-6-9-18-10-7-13;1-14(2,3)11-5-7-15-12(9-11)10-13-6-8-16-17(13)4;1-14(2,3)11-4-7-15-13(10-11)17-12-5-8-16-9-6-12;1-13(2,3)10-6-9-4-5-11(15)7-12(9)14-8-10;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12;;;;;;;;;;;;;/h4-12,21H,13-17H2,1-3H3;4-9,12-13,20H,10-11,14-16H2,1-3H3;7-10,17H,11-14H2,1-6H3;5-8,17H,9-14H2,1-4H3;7-9,11H,10H2,1-6H3,(H,19,20);4-7,16,19H,8-13H2,1-3H3;5,8,11,13H,6-7,9-10H2,1-4H3;5-9H,10H2,1-4H3;4,7,10,12H,5-6,8-9H2,1-3H3;4-8,15H,1-3H3;4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14);13*1H4.
What are the key properties of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane?
1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane has a molecular weight of 3560.23 g/mol, XLogP of 53.18, 30 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyridine;4-tert-butyl-N-methyl-N-(oxan-4-yl)pyridin-2-amine;4-tert-butyl-2-[(2-methylpyrazol-3-yl)methyl]pyridine;4-tert-butyl-2-(oxan-4-yloxy)pyridine;4-(4-tert-butylphenoxy)-1-(2-methoxyethyl)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;3-tert-butylquinoline;3-tert-butylquinolin-7-ol;methane is sourced from PubChem (CID 161015124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).