1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane

C248H329BF10N24O6S3 — CID 161231681

IUPAC1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
SMILESC#Cc1ccc(C(C)C)cc1.C#Cc1ccccc1C(C)C.CC(C)C(F)(F)C(F)(F)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)c1ccc(N2CCSCC2)cc1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2nccs2)c1.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccc1B(O)O.CC(C)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)c1cccnc1N(C)C.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1ncco1.CCc1ccc(C(C)C)cc1.Cc1nc(C(C)C)c2ccccn12.Cc1nc2ccccn2c1C(C)C
InChIInChI=1S/C18H28N2O2.C15H23N.C14H15N.C13H19NS.C12H13NS.C12H13N.2C11H14N2.2C11H12N2.C11H13N.C11H16.2C11H12.C10H12N2.C10H16N2.C9H13BO2.C9H12.C8H16O.C7H10N2.C6H7F7.C6H9NO.C6H9NS.C5H9F3/c1-14(2)15-8-6-7-9-16(15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-8(2)11-9(3)12-10-6-4-5-7-13(10)11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)9-5-6-11-10(9)4-3-7-12-11;2*1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-3(2)4(7,8)5(9,10)6(11,12)13;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-4(2)3-5(6,7)8/h6-9,14H,10-13H2,1-5H3;3-7,13,15H,8-12H2,1-2H3;3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;5-9H,4H2,1-3H3;2*1,5-9H,2-3H3;3-8H,1-2H3;5-8H,1-4H3;3-7,11-12H,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3H,1-2H3;2*3-5H,1-2H3;4H,3H2,1-2H3
InChIKeyUYVFRYGTGUVCLT-UHFFFAOYSA-N
MW4039.51 g/mol
LogP66.45
Rot. Bonds34

About 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane

1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane (PubChem CID 161231681) has the molecular formula C248H329BF10N24O6S3 and a molecular weight of 4039.51 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
PubChem CID161231681
Molecular FormulaC248H329BF10N24O6S3
Molecular Weight4039.51 g/mol
Exact Mass4036.53
IUPAC Name1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
SMILESC#Cc1ccc(C(C)C)cc1.C#Cc1ccccc1C(C)C.CC(C)C(F)(F)C(F)(F)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)c1ccc(N2CCSCC2)cc1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2nccs2)c1.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccc1B(O)O.CC(C)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)c1cccnc1N(C)C.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1ncco1.CCc1ccc(C(C)C)cc1.Cc1nc(C(C)C)c2ccccn12.Cc1nc2ccccn2c1C(C)C
InChIInChI=1S/C18H28N2O2.C15H23N.C14H15N.C13H19NS.C12H13NS.C12H13N.2C11H14N2.2C11H12N2.C11H13N.C11H16.2C11H12.C10H12N2.C10H16N2.C9H13BO2.C9H12.C8H16O.C7H10N2.C6H7F7.C6H9NO.C6H9NS.C5H9F3/c1-14(2)15-8-6-7-9-16(15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-8(2)11-9(3)12-10-6-4-5-7-13(10)11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)9-5-6-11-10(9)4-3-7-12-11;2*1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-3(2)4(7,8)5(9,10)6(11,12)13;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-4(2)3-5(6,7)8/h6-9,14H,10-13H2,1-5H3;3-7,13,15H,8-12H2,1-2H3;3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;5-9H,4H2,1-3H3;2*1,5-9H,2-3H3;3-8H,1-2H3;5-8H,1-4H3;3-7,11-12H,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3H,1-2H3;2*3-5H,1-2H3;4H,3H2,1-2H3
InChIKeyUYVFRYGTGUVCLT-UHFFFAOYSA-N
XLogP66.45
TPSA324.80 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004039.51
LogP ≤ 566.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 157430414
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;1,4-dimethoxy-2-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-ylbenzoic acid;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 159124080
CID 160744009
CID 160744009
benzaldehyde;1-benzylpiperidine-4-carbaldehyde;tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate;7H-cyclopenta[b]pyridine-5-carbaldehyde;2-(dimethylamino)pyridine-3-carbaldehyde;4-ethylbenzaldehyde;2,2,3,3,4,4,4-heptafluorobutanal;imidazo[1,2-a]pyridine-6-carbaldehyde;2-methylimidazo[1,2-a]pyridine-3-carbaldehyde;1,8-naphthyridine-2-carbaldehyde;oxane-4-carbaldehyde;1,3-oxazole-2-carbaldehyde;3-pyridin-2-ylbenzaldehyde;pyrimidine-5-carbaldehyde;quinoline-5-carbaldehyde;quinoxaline-6-carbaldehyde;1,3-thiazole-4-carbaldehyde;4-thiomorpholin-4-ylbenzaldehyde;3,3,3-trifluoropropanal
CID 160759121
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 160824705
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane
CID 161226036
CID 157525435
CID 157525435
1H-benzimidazole;bis(3H-benzo[e]benzimidazole);imidazo[1,2-a]pyridine;1H-imidazo[4,5-b]pyrazine;bis(1H-imidazo[4,5-b]pyridine);1H-imidazole;1,3-oxazole;1,10-phenanthroline;bis(7H-purine);pyrazine;pyridine;2-pyridin-2-ylpyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
CID 158384185
CID 159394331
CID 159394331
CID 160521295
CID 160521295
Bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;2-methyl-1,3-oxazole;4-methylquinoline;5-methylquinoline;2-methyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 161026171

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane?
The IUPAC name of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane (CID 161231681) is 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane?
The canonical SMILES for 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane is C#Cc1ccc(C(C)C)cc1.C#Cc1ccccc1C(C)C.CC(C)C(F)(F)C(F)(F)C(F)(F)F.CC(C)C1=CCc2ncccc21.CC(C)C1CCN(Cc2ccccc2)CC1.CC(C)C1CCOCC1.CC(C)CC(F)(F)F.CC(C)c1ccc(N2CCSCC2)cc1.CC(C)c1ccc2cccnc2n1.CC(C)c1ccc2nccn2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc(-c2ccccn2)c1.CC(C)c1cccc(-c2nccs2)c1.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1.CC(C)c1ccccc1B(O)O.CC(C)c1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)c1cccnc1N(C)C.CC(C)c1cncnc1.CC(C)c1cscn1.CC(C)c1ncco1.CCc1ccc(C(C)C)cc1.Cc1nc(C(C)C)c2ccccn12.Cc1nc2ccccn2c1C(C)C.
What is the InChIKey of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane?
The InChIKey is UYVFRYGTGUVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.C15H23N.C14H15N.C13H19NS.C12H13NS.C12H13N.2C11H14N2.2C11H12N2.C11H13N.C11H16.2C11H12.C10H12N2.C10H16N2.C9H13BO2.C9H12.C8H16O.C7H10N2.C6H7F7.C6H9NO.C6H9NS.C5H9F3/c1-14(2)15-8-6-7-9-16(15)19-10-12-20(13-11-19)17(21)22-18(3,4)5;1-13(2)15-8-10-16(11-9-15)12-14-6-4-3-5-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15-14;1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14;1-9(2)10-4-3-5-11(8-10)12-13-6-7-14-12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-8(2)11-10-6-4-5-7-13(10)9(3)12-11;1-8(2)11-9(3)12-10-6-4-5-7-13(10)11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10;1-8(2)9-5-6-11-10(9)4-3-7-12-11;2*1-4-10-5-7-11(8-6-10)9(2)3;1-4-10-7-5-6-8-11(10)9(2)3;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)8-5-3-4-6-9(8)10(11)12;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7;1-3(2)4(7,8)5(9,10)6(11,12)13;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-4(2)3-5(6,7)8/h6-9,14H,10-13H2,1-5H3;3-7,13,15H,8-12H2,1-2H3;3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;3-9H,1-2H3;3-9H,1-2H3;2*4-8H,1-3H3;2*3-8H,1-2H3;3-5,7-8H,6H2,1-2H3;5-9H,4H2,1-3H3;2*1,5-9H,2-3H3;3-8H,1-2H3;5-8H,1-4H3;3-7,11-12H,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3H,1-2H3;2*3-5H,1-2H3;4H,3H2,1-2H3.
What are the key properties of 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane?
1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane has a molecular weight of 4039.51 g/mol, XLogP of 66.45, 34 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpiperidine;tert-butyl 4-(2-propan-2-ylphenyl)piperazine-1-carboxylate;cumene;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;1-ethyl-4-propan-2-ylbenzene;1-ethynyl-2-propan-2-ylbenzene;1-ethynyl-4-propan-2-ylbenzene;1,1,1,2,2,3,3-heptafluoro-4-methylpentane;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;5-propan-2-yl-7H-cyclopenta[b]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1,8-naphthyridine;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;(2-propan-2-ylphenyl)boronic acid;2-(3-propan-2-ylphenyl)pyridine;2-(3-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)thiomorpholine;5-propan-2-ylpyrimidine;5-propan-2-ylquinoline;6-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;1,1,1-trifluoro-3-methylbutane is sourced from PubChem (CID 161231681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).