1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine

C171H277F6N27O3S — CID 167656030

IUPAC1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
SMILESCC(C)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1cnc(C2CCN(C)CC2)[nH]1.CC(C)c1cnc(C2CCN(C)CC2)o1.CC(C)c1cnc(C2CCN(C)CC2)s1.CC(C)c1cnc(C2CCNCC2)[nH]1.CC(C)c1cnn(C2CCN(C)CC2)c1.CCN1CCC(Oc2ccc(C(C)C)cc2)CC1.CCN1CCC(Oc2ccc(C(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)C)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H25F3N2.C17H28N2.C16H23F3N2.C16H27N3.C16H25NO.C15H24N2O.C15H24N2.2C12H21N3.C12H20N2O.C12H20N2S.C11H19N3/c1-4-21-7-9-22(10-8-21)12-15-6-5-14(13(2)3)11-16(15)17(18,19)20;1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-12(2)13-4-5-14(15(10-13)16(17,18)19)11-21-8-6-20(3)7-9-21;1-5-18-8-10-19(11-9-18)13-14-6-7-15(17-12-14)16(2,3)4;1-4-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3;1-4-17-9-7-13(8-10-17)18-14-5-6-15(12(2)3)16-11-14;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-10(2)11-8-13-15(9-11)12-4-6-14(3)7-5-12;1-9(2)11-8-13-12(14-11)10-4-6-15(3)7-5-10;2*1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10;1-8(2)10-7-13-11(14-10)9-3-5-12-6-4-9/h5-6,11,13H,4,7-10,12H2,1-3H3;6-9H,5,10-14H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;5-6,11-13H,4,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;8-10,12H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3,(H,13,14);2*8-10H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyRGSJFVMULBXEMO-UHFFFAOYSA-N
MW2905.34 g/mol
LogP34.78
Rot. Bonds34

About 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine

1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine (PubChem CID 167656030) has the molecular formula C171H277F6N27O3S and a molecular weight of 2905.34 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
PubChem CID167656030
Molecular FormulaC171H277F6N27O3S
Molecular Weight2905.34 g/mol
Exact Mass2903.20
IUPAC Name1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
SMILESCC(C)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1cnc(C2CCN(C)CC2)[nH]1.CC(C)c1cnc(C2CCN(C)CC2)o1.CC(C)c1cnc(C2CCN(C)CC2)s1.CC(C)c1cnc(C2CCNCC2)[nH]1.CC(C)c1cnn(C2CCN(C)CC2)c1.CCN1CCC(Oc2ccc(C(C)C)cc2)CC1.CCN1CCC(Oc2ccc(C(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)C)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H25F3N2.C17H28N2.C16H23F3N2.C16H27N3.C16H25NO.C15H24N2O.C15H24N2.2C12H21N3.C12H20N2O.C12H20N2S.C11H19N3/c1-4-21-7-9-22(10-8-21)12-15-6-5-14(13(2)3)11-16(15)17(18,19)20;1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-12(2)13-4-5-14(15(10-13)16(17,18)19)11-21-8-6-20(3)7-9-21;1-5-18-8-10-19(11-9-18)13-14-6-7-15(17-12-14)16(2,3)4;1-4-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3;1-4-17-9-7-13(8-10-17)18-14-5-6-15(12(2)3)16-11-14;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-10(2)11-8-13-15(9-11)12-4-6-14(3)7-5-12;1-9(2)11-8-13-12(14-11)10-4-6-15(3)7-5-10;2*1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10;1-8(2)10-7-13-11(14-10)9-3-5-12-6-4-9/h5-6,11,13H,4,7-10,12H2,1-3H3;6-9H,5,10-14H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;5-6,11-13H,4,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;8-10,12H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3,(H,13,14);2*8-10H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyRGSJFVMULBXEMO-UHFFFAOYSA-N
XLogP34.78
TPSA222.21 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002905.34
LogP ≤ 534.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;1-tert-butyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;2,2,3-trimethylbutane
CID 160298020
N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane
CID 161387770
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450
[4-[[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]carbamoyl]cyclohexyl] 4-methylpiperazine-1-carboxylate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(2-propan-2-yl-1,3-oxazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-dimethylbutyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-butylcarbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2,2-difluoropropyl)carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-[(2R)-2-fluorobutyl]carbamate;[4-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl-[4-(1-propan-2-ylpyrazol-4-yl)-2-pyridinyl]carbamoyl]cyclohexyl] N-(2-fluoropropyl)carbamate
CID 163429788
4-(4-tert-butylphenoxy)-1-methylpiperidine;1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine
CID 167586266
CID 167627776
CID 167627776
cumene;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 167657542
6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157371967
bis(tert-butylbenzene);tert-butylcyclobutane;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;tris(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;tris(5-tert-butyl-3H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;5-tert-butyl-3H-1,2,4-triazole
CID 157378969
5-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-[(4-propan-2-ylphenyl)methyl]piperazine;1-[(4-propan-2-ylphenyl)methyl]pyrrolidine;1-(4-propan-2-ylphenyl)pyrrolidine;3-(1-propan-2-ylpiperidin-4-yl)pyridine;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole
CID 157673985
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-1H-imidazole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butylquinoline;2-tert-butyl-1,3-thiazole;methane;2-propan-2-yl-3H-indole;7-propan-2-yl-3H-indole;8-propan-2-ylquinoline
CID 157924941
bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
CID 158069797

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine (CID 167656030) is 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine is CC(C)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)c1ccc(CN2CCN(C)CC2)cc1.CC(C)c1cnc(C2CCN(C)CC2)[nH]1.CC(C)c1cnc(C2CCN(C)CC2)o1.CC(C)c1cnc(C2CCN(C)CC2)s1.CC(C)c1cnc(C2CCNCC2)[nH]1.CC(C)c1cnn(C2CCN(C)CC2)c1.CCN1CCC(Oc2ccc(C(C)C)cc2)CC1.CCN1CCC(Oc2ccc(C(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.CCN1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CCN1CCN(Cc2ccc(C(C)C)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
The InChIKey is RGSJFVMULBXEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C17H28N2.C16H23F3N2.C16H27N3.C16H25NO.C15H24N2O.C15H24N2.2C12H21N3.C12H20N2O.C12H20N2S.C11H19N3/c1-4-21-7-9-22(10-8-21)12-15-6-5-14(13(2)3)11-16(15)17(18,19)20;1-5-18-10-12-19(13-11-18)14-15-6-8-16(9-7-15)17(2,3)4;1-12(2)13-4-5-14(15(10-13)16(17,18)19)11-21-8-6-20(3)7-9-21;1-5-18-8-10-19(11-9-18)13-14-6-7-15(17-12-14)16(2,3)4;1-4-17-11-9-16(10-12-17)18-15-7-5-14(6-8-15)13(2)3;1-4-17-9-7-13(8-10-17)18-14-5-6-15(12(2)3)16-11-14;1-13(2)15-6-4-14(5-7-15)12-17-10-8-16(3)9-11-17;1-10(2)11-8-13-15(9-11)12-4-6-14(3)7-5-12;1-9(2)11-8-13-12(14-11)10-4-6-15(3)7-5-10;2*1-9(2)11-8-13-12(15-11)10-4-6-14(3)7-5-10;1-8(2)10-7-13-11(14-10)9-3-5-12-6-4-9/h5-6,11,13H,4,7-10,12H2,1-3H3;6-9H,5,10-14H2,1-4H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,12H,5,8-11,13H2,1-4H3;5-8,13,16H,4,9-12H2,1-3H3;5-6,11-13H,4,7-10H2,1-3H3;4-7,13H,8-12H2,1-3H3;8-10,12H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3,(H,13,14);2*8-10H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine?
1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine has a molecular weight of 2905.34 g/mol, XLogP of 34.78, 34 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine;5-(1-ethylpiperidin-4-yl)oxy-2-propan-2-ylpyridine;1-ethyl-4-(4-propan-2-ylphenoxy)piperidine;1-ethyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-oxazole;2-(1-methylpiperidin-4-yl)-5-propan-2-yl-1,3-thiazole;1-methyl-4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine;1-methyl-4-[(4-propan-2-ylphenyl)methyl]piperazine;1-methyl-4-(4-propan-2-ylpyrazol-1-yl)piperidine;1-methyl-4-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]methyl]piperazine;4-(5-propan-2-yl-1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 167656030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).