tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene

C251H327F2N25O9S2 — CID 158519626

IUPACtert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene
SMILESCC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(OCc2ccccc2)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1cccc(-n2cccc2)c1.CC(C)c1cccc(N2CCCC2=O)n1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn(C)c(=O)c1.CC(C)c1cnc2c(c1)OCCC2.CC(C)c1cnc2ccccc2n1.CC(C)c1cnc2nccnc2c1.CCCn1cc(C(C)C)cn1.Cc1cc(C)nc(C(C)C)n1.Cc1nc2cc(C(C)C)ccc2s1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C17H20O.C15H14O.C15H16O.C13H25NO2.C13H19NO.C13H15N.C12H16N2O.C12H13N.2C11H12N2.C11H15NO.C11H13NS.C11H16.C10H13F.C10H11N3.C9H14N2.C9H16N2.C9H13NO.C8H10FN.C8H12N2.2C8H11N.C7H10S/c1-14(2)12-15-8-10-17(11-9-15)18-13-16-6-4-3-5-7-16;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-9(2)10-5-3-6-11(13-10)14-8-4-7-12(14)15;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-6-11-10(12-7-9)4-3-5-13-11;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)8-5-9-10(13-6-8)12-4-3-11-9;1-6(2)9-10-7(3)5-8(4)11-9;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7/h3-11,14H,12-13H2,1-2H3;3-10H,1-2H3;3-12H,1-2H3;10-11H,6-9H2,1-5H3;3-5,10-11H,6-9H2,1-2H3;3-11H,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;6-8H,3-5H2,1-2H3;4-7H,1-3H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;6-8H,4-5H2,1-3H3;4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3
InChIKeyHMBCRZDIRTYSBN-UHFFFAOYSA-N
MW3940.67 g/mol
LogP66.89
Rot. Bonds37

About tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene (PubChem CID 158519626) has the molecular formula C251H327F2N25O9S2 and a molecular weight of 3940.67 g/mol. Its IUPAC name is tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene.

Molecular Properties

Compound Nametert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene
PubChem CID158519626
Molecular FormulaC251H327F2N25O9S2
Molecular Weight3940.67 g/mol
Exact Mass3937.53
IUPAC Nametert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene
SMILESCC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(OCc2ccccc2)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1cccc(-n2cccc2)c1.CC(C)c1cccc(N2CCCC2=O)n1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn(C)c(=O)c1.CC(C)c1cnc2c(c1)OCCC2.CC(C)c1cnc2ccccc2n1.CC(C)c1cnc2nccnc2c1.CCCn1cc(C(C)C)cn1.Cc1cc(C)nc(C(C)C)n1.Cc1nc2cc(C(C)C)ccc2s1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/C17H20O.C15H14O.C15H16O.C13H25NO2.C13H19NO.C13H15N.C12H16N2O.C12H13N.2C11H12N2.C11H15NO.C11H13NS.C11H16.C10H13F.C10H11N3.C9H14N2.C9H16N2.C9H13NO.C8H10FN.C8H12N2.2C8H11N.C7H10S/c1-14(2)12-15-8-10-17(11-9-15)18-13-16-6-4-3-5-7-16;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-9(2)10-5-3-6-11(13-10)14-8-4-7-12(14)15;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-6-11-10(12-7-9)4-3-5-13-11;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)8-5-9-10(13-6-8)12-4-3-11-9;1-6(2)9-10-7(3)5-8(4)11-9;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7/h3-11,14H,12-13H2,1-2H3;3-10H,1-2H3;3-12H,1-2H3;10-11H,6-9H2,1-5H3;3-5,10-11H,6-9H2,1-2H3;3-11H,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;6-8H,3-5H2,1-2H3;4-7H,1-3H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;6-8H,4-5H2,1-3H3;4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3
InChIKeyHMBCRZDIRTYSBN-UHFFFAOYSA-N
XLogP66.89
TPSA379.92 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003940.67
LogP ≤ 566.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene with MolForge

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Related Compounds

benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
CID 158633368
CID 158633368
CID 158717243
CID 158717243
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
CID 160796703
CID 160796703
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
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CID 161147666
CID 161147666
Acetonitrile;1,2-dimethylbenzimidazole;1,5-dimethylbenzimidazole;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;methane;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;1,1,1-trifluoroethane
CID 161544054

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
The IUPAC name of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene (CID 158519626) is tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene.
What is the SMILES notation for tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
The canonical SMILES for tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene is CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccc(OCc2ccccc2)cc1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(Oc2ccccc2)cc1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2oc3ccccc3c2c1.CC(C)c1cccc(-n2cccc2)c1.CC(C)c1cccc(N2CCCC2=O)n1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccs1.CC(C)c1ccn(C)c(=O)c1.CC(C)c1cnc2c(c1)OCCC2.CC(C)c1cnc2ccccc2n1.CC(C)c1cnc2nccnc2c1.CCCn1cc(C(C)C)cn1.Cc1cc(C)nc(C(C)C)n1.Cc1nc2cc(C(C)C)ccc2s1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
The InChIKey is HMBCRZDIRTYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O.C15H14O.C15H16O.C13H25NO2.C13H19NO.C13H15N.C12H16N2O.C12H13N.2C11H12N2.C11H15NO.C11H13NS.C11H16.C10H13F.C10H11N3.C9H14N2.C9H16N2.C9H13NO.C8H10FN.C8H12N2.2C8H11N.C7H10S/c1-14(2)12-15-8-10-17(11-9-15)18-13-16-6-4-3-5-7-16;1-10(2)11-7-8-15-13(9-11)12-5-3-4-6-14(12)16-15;1-12(2)13-8-10-15(11-9-13)16-14-6-4-3-5-7-14;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-9(2)10-5-3-6-11(13-10)14-8-4-7-12(14)15;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)9-6-11-10(12-7-9)4-3-5-13-11;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)8-5-9-10(13-6-8)12-4-3-11-9;1-6(2)9-10-7(3)5-8(4)11-9;1-4-5-11-7-9(6-10-11)8(2)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7/h3-11,14H,12-13H2,1-2H3;3-10H,1-2H3;3-12H,1-2H3;10-11H,6-9H2,1-5H3;3-5,10-11H,6-9H2,1-2H3;3-11H,1-2H3;3,5-6,9H,4,7-8H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;6-8H,3-5H2,1-2H3;4-7H,1-3H3;3-7,10H,8-9H2,1-2H3;3-6,8H,7H2,1-2H3;3-7H,1-2H3;5-6H,1-4H3;6-8H,4-5H2,1-3H3;4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene?
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene has a molecular weight of 3940.67 g/mol, XLogP of 66.89, 37 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;4,6-dimethyl-2-propan-2-ylpyrimidine;1-fluoro-4-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;3-methylbutylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyridin-2-one;2-methyl-5-propan-2-ylpyrimidine;1-(2-methylpropyl)-4-phenylmethoxybenzene;1-phenoxy-4-propan-2-ylbenzene;2-propan-2-yldibenzofuran;7-propan-2-yl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-propan-2-ylisoquinoline;4-(3-propan-2-ylphenyl)morpholine;1-(3-propan-2-ylphenyl)pyrrole;4-propan-2-yl-1-propylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-(6-propan-2-yl-2-pyridinyl)pyrrolidin-2-one;7-propan-2-ylpyrido[2,3-b]pyrazine;2-propan-2-ylquinoxaline;6-propan-2-ylquinoxaline;2-propan-2-ylthiophene is sourced from PubChem (CID 158519626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).