benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate

C272H473F3N22O8 — CID 167680329

IUPACbenzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate
SMILESCC(=O)N1CCC(C(C(C)C)C(C)C)CC1.CC(C)C(C(C)C)C1CCN(C(=O)CN(C)C)CC1.CC(C)C(C(C)C)C1CCN(C(=O)OCc2ccccc2)CC1.CC(C)C(C(C)C)C1CCN(C)CC1.CC(C)C(C(C)C)C1CCN(CCC(F)(F)F)CC1.CC(C)C(C(C)C)C1CCN(c2ncccn2)CC1.CC(C)C(C(C)C)C1CCNCC1.CC(C)C(c1ccc(C(=O)O)cc1)C(C)C.CC(C)C(c1ccc(C(C)(C)C)cc1)C(C)C.CC(C)C(c1cccc(C(C)(C)C)c1)C(C)C.CC(C)C(c1ccccc1)C(C)C.CC(C)C(c1ccn(C)n1)C(C)C.CC(C)C(c1ccncn1)C(C)C.CC(C)C(c1ccnn1C)C(C)C.CC(C)C(c1cncnc1)C(C)C.CC(C)C(c1cnn(C)c1)C(C)C.CC(C)C(c1ncccn1)C(C)C.COC(=O)C(C(C)C)C(C)C.Cc1cccc(C)c1C(C(C)C)C(C)C.Cc1cccc(C)c1C(C(C)C)C(C)C
InChIInChI=1S/C20H31NO2.2C17H28.C16H27N3.C16H32N2O.C15H28F3N.2C15H24.C14H27NO.C14H20O2.C13H27N.C13H20.C12H25N.C11H20N2.C11H18N2.2C11H20N2.2C11H18N2.C9H18O2/c1-15(2)19(16(3)4)18-10-12-21(13-11-18)20(22)23-14-17-8-6-5-7-9-17;1-12(2)16(13(3)4)14-8-10-15(11-9-14)17(5,6)7;1-12(2)16(13(3)4)14-9-8-10-15(11-14)17(5,6)7;1-12(2)15(13(3)4)14-6-10-19(11-7-14)16-17-8-5-9-18-16;1-12(2)16(13(3)4)14-7-9-18(10-8-14)15(19)11-17(5)6;1-11(2)14(12(3)4)13-5-8-19(9-6-13)10-7-15(16,17)18;2*1-10(2)14(11(3)4)15-12(5)8-7-9-13(15)6;1-10(2)14(11(3)4)13-6-8-15(9-7-13)12(5)16;1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(15)16;1-10(2)13(11(3)4)12-6-8-14(5)9-7-12;1-10(2)13(11(3)4)12-8-6-5-7-9-12;1-9(2)12(10(3)4)11-5-7-13-8-6-11;1-8(2)11(9(3)4)10-6-12-13(5)7-10;1-8(2)11(9(3)4)10-5-12-7-13-6-10;1-8(2)11(9(3)4)10-6-7-13(5)12-10;1-8(2)11(9(3)4)10-6-7-12-13(10)5;1-8(2)11(9(3)4)10-5-6-12-7-13-10;1-8(2)10(9(3)4)11-12-6-5-7-13-11;1-6(2)8(7(3)4)9(10)11-5/h5-9,15-16,18-19H,10-14H2,1-4H3;2*8-13,16H,1-7H3;5,8-9,12-15H,6-7,10-11H2,1-4H3;12-14,16H,7-11H2,1-6H3;11-14H,5-10H2,1-4H3;2*7-11,14H,1-6H3;10-11,13-14H,6-9H2,1-5H3;5-10,13H,1-4H3,(H,15,16);10-13H,6-9H2,1-5H3;5-11,13H,1-4H3;9-13H,5-8H2,1-4H3;6-9,11H,1-5H3;5-9,11H,1-4H3;2*6-9,11H,1-5H3;5-9,11H,1-4H3;5-10H,1-4H3;6-8H,1-5H3
InChIKeyVLEKOSNZLNUMLC-UHFFFAOYSA-N
MW4236.92 g/mol
LogP72.39
Rot. Bonds68

About benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate

benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate (PubChem CID 167680329) has the molecular formula C272H473F3N22O8 and a molecular weight of 4236.92 g/mol. Its IUPAC name is benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate.

Molecular Properties

Compound Namebenzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate
PubChem CID167680329
Molecular FormulaC272H473F3N22O8
Molecular Weight4236.92 g/mol
Exact Mass4233.72
IUPAC Namebenzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate
SMILESCC(=O)N1CCC(C(C(C)C)C(C)C)CC1.CC(C)C(C(C)C)C1CCN(C(=O)CN(C)C)CC1.CC(C)C(C(C)C)C1CCN(C(=O)OCc2ccccc2)CC1.CC(C)C(C(C)C)C1CCN(C)CC1.CC(C)C(C(C)C)C1CCN(CCC(F)(F)F)CC1.CC(C)C(C(C)C)C1CCN(c2ncccn2)CC1.CC(C)C(C(C)C)C1CCNCC1.CC(C)C(c1ccc(C(=O)O)cc1)C(C)C.CC(C)C(c1ccc(C(C)(C)C)cc1)C(C)C.CC(C)C(c1cccc(C(C)(C)C)c1)C(C)C.CC(C)C(c1ccccc1)C(C)C.CC(C)C(c1ccn(C)n1)C(C)C.CC(C)C(c1ccncn1)C(C)C.CC(C)C(c1ccnn1C)C(C)C.CC(C)C(c1cncnc1)C(C)C.CC(C)C(c1cnn(C)c1)C(C)C.CC(C)C(c1ncccn1)C(C)C.COC(=O)C(C(C)C)C(C)C.Cc1cccc(C)c1C(C(C)C)C(C)C.Cc1cccc(C)c1C(C(C)C)C(C)C
InChIInChI=1S/C20H31NO2.2C17H28.C16H27N3.C16H32N2O.C15H28F3N.2C15H24.C14H27NO.C14H20O2.C13H27N.C13H20.C12H25N.C11H20N2.C11H18N2.2C11H20N2.2C11H18N2.C9H18O2/c1-15(2)19(16(3)4)18-10-12-21(13-11-18)20(22)23-14-17-8-6-5-7-9-17;1-12(2)16(13(3)4)14-8-10-15(11-9-14)17(5,6)7;1-12(2)16(13(3)4)14-9-8-10-15(11-14)17(5,6)7;1-12(2)15(13(3)4)14-6-10-19(11-7-14)16-17-8-5-9-18-16;1-12(2)16(13(3)4)14-7-9-18(10-8-14)15(19)11-17(5)6;1-11(2)14(12(3)4)13-5-8-19(9-6-13)10-7-15(16,17)18;2*1-10(2)14(11(3)4)15-12(5)8-7-9-13(15)6;1-10(2)14(11(3)4)13-6-8-15(9-7-13)12(5)16;1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(15)16;1-10(2)13(11(3)4)12-6-8-14(5)9-7-12;1-10(2)13(11(3)4)12-8-6-5-7-9-12;1-9(2)12(10(3)4)11-5-7-13-8-6-11;1-8(2)11(9(3)4)10-6-12-13(5)7-10;1-8(2)11(9(3)4)10-5-12-7-13-6-10;1-8(2)11(9(3)4)10-6-7-13(5)12-10;1-8(2)11(9(3)4)10-6-7-12-13(10)5;1-8(2)11(9(3)4)10-5-6-12-7-13-10;1-8(2)10(9(3)4)11-12-6-5-7-13-11;1-6(2)8(7(3)4)9(10)11-5/h5-9,15-16,18-19H,10-14H2,1-4H3;2*8-13,16H,1-7H3;5,8-9,12-15H,6-7,10-11H2,1-4H3;12-14,16H,7-11H2,1-6H3;11-14H,5-10H2,1-4H3;2*7-11,14H,1-6H3;10-11,13-14H,6-9H2,1-5H3;5-10,13H,1-4H3,(H,15,16);10-13H,6-9H2,1-5H3;5-11,13H,1-4H3;9-13H,5-8H2,1-4H3;6-9,11H,1-5H3;5-9,11H,1-4H3;2*6-9,11H,1-5H3;5-9,11H,1-4H3;5-10H,1-4H3;6-8H,1-5H3
InChIKeyVLEKOSNZLNUMLC-UHFFFAOYSA-N
XLogP72.39
TPSA315.33 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds68
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004236.92
LogP ≤ 572.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate with MolForge

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Related Compounds

sodium;ethyl 4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoic acid;hydroxide
CID 157919609
bis(2-[4-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]ethanone);tert-butyl N-[3-[4-[[4-[2-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]carbamate;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
CID 157923200
1-N-methyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;methyl 3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoic acid
CID 158144490
sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide
CID 158225961
tert-butyl 3-[2-[[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimidin-4-yl]piperidine-1-carboxylate;methane;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(1-prop-2-enoylpiperidin-3-yl)pyrimidin-2-yl]methyl]benzamide;4-methyl-3-[[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrimidin-2-yl]amino]benzoic acid
CID 159095178
2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;ethyl 3-[1-[2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]piperidin-4-yl]benzoate
CID 159109838
4-[4-amino-7-[(3R)-piperidin-3-yl]imidazo[5,1-f][1,2,4]triazin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;benzyl (3R)-3-(4-amino-5-iodoimidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;benzyl (3R)-3-[4-amino-5-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate
CID 159864807
bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 159960290
benzyl (3R)-3-(4-amino-5-iodoimidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate;benzyl (3R)-3-[4-amino-5-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate;benzyl (3R)-3-(5-iodo-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 160546580
4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 160571192
potassium;ethanol;bis(3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide);methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoate;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline;2-methylpropan-2-olate;dihydrochloride
CID 161618583
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-3-phenylpyrazole;1-tert-butyl-2-propan-2-ylbenzene;2-(1-tert-butylpyrazol-3-yl)pyridine;N,N-dimethyl-3-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-propan-2-ylbenzene;ethyl 2-(5-propan-2-yl-2-pyridinyl)acetate;1-(methoxymethyl)-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;3-methylbutylbenzene;2-methylpropylbenzene;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;propan-2-yloxymethylbenzene;(3-propan-2-ylphenyl)methanol;1-[(3-propan-2-ylphenyl)methyl]piperidine;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-N-propylbenzamide;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161684348

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate?
The IUPAC name of benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate (CID 167680329) is benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate.
What is the SMILES notation for benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate?
The canonical SMILES for benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate is CC(=O)N1CCC(C(C(C)C)C(C)C)CC1.CC(C)C(C(C)C)C1CCN(C(=O)CN(C)C)CC1.CC(C)C(C(C)C)C1CCN(C(=O)OCc2ccccc2)CC1.CC(C)C(C(C)C)C1CCN(C)CC1.CC(C)C(C(C)C)C1CCN(CCC(F)(F)F)CC1.CC(C)C(C(C)C)C1CCN(c2ncccn2)CC1.CC(C)C(C(C)C)C1CCNCC1.CC(C)C(c1ccc(C(=O)O)cc1)C(C)C.CC(C)C(c1ccc(C(C)(C)C)cc1)C(C)C.CC(C)C(c1cccc(C(C)(C)C)c1)C(C)C.CC(C)C(c1ccccc1)C(C)C.CC(C)C(c1ccn(C)n1)C(C)C.CC(C)C(c1ccncn1)C(C)C.CC(C)C(c1ccnn1C)C(C)C.CC(C)C(c1cncnc1)C(C)C.CC(C)C(c1cnn(C)c1)C(C)C.CC(C)C(c1ncccn1)C(C)C.COC(=O)C(C(C)C)C(C)C.Cc1cccc(C)c1C(C(C)C)C(C)C.Cc1cccc(C)c1C(C(C)C)C(C)C.
What is the InChIKey of benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate?
The InChIKey is VLEKOSNZLNUMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2.2C17H28.C16H27N3.C16H32N2O.C15H28F3N.2C15H24.C14H27NO.C14H20O2.C13H27N.C13H20.C12H25N.C11H20N2.C11H18N2.2C11H20N2.2C11H18N2.C9H18O2/c1-15(2)19(16(3)4)18-10-12-21(13-11-18)20(22)23-14-17-8-6-5-7-9-17;1-12(2)16(13(3)4)14-8-10-15(11-9-14)17(5,6)7;1-12(2)16(13(3)4)14-9-8-10-15(11-14)17(5,6)7;1-12(2)15(13(3)4)14-6-10-19(11-7-14)16-17-8-5-9-18-16;1-12(2)16(13(3)4)14-7-9-18(10-8-14)15(19)11-17(5)6;1-11(2)14(12(3)4)13-5-8-19(9-6-13)10-7-15(16,17)18;2*1-10(2)14(11(3)4)15-12(5)8-7-9-13(15)6;1-10(2)14(11(3)4)13-6-8-15(9-7-13)12(5)16;1-9(2)13(10(3)4)11-5-7-12(8-6-11)14(15)16;1-10(2)13(11(3)4)12-6-8-14(5)9-7-12;1-10(2)13(11(3)4)12-8-6-5-7-9-12;1-9(2)12(10(3)4)11-5-7-13-8-6-11;1-8(2)11(9(3)4)10-6-12-13(5)7-10;1-8(2)11(9(3)4)10-5-12-7-13-6-10;1-8(2)11(9(3)4)10-6-7-13(5)12-10;1-8(2)11(9(3)4)10-6-7-12-13(10)5;1-8(2)11(9(3)4)10-5-6-12-7-13-10;1-8(2)10(9(3)4)11-12-6-5-7-13-11;1-6(2)8(7(3)4)9(10)11-5/h5-9,15-16,18-19H,10-14H2,1-4H3;2*8-13,16H,1-7H3;5,8-9,12-15H,6-7,10-11H2,1-4H3;12-14,16H,7-11H2,1-6H3;11-14H,5-10H2,1-4H3;2*7-11,14H,1-6H3;10-11,13-14H,6-9H2,1-5H3;5-10,13H,1-4H3,(H,15,16);10-13H,6-9H2,1-5H3;5-11,13H,1-4H3;9-13H,5-8H2,1-4H3;6-9,11H,1-5H3;5-9,11H,1-4H3;2*6-9,11H,1-5H3;5-9,11H,1-4H3;5-10H,1-4H3;6-8H,1-5H3.
What are the key properties of benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate?
benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate has a molecular weight of 4236.92 g/mol, XLogP of 72.39, 68 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate is sourced from PubChem (CID 167680329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).