tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone

C206H347FN23O15+ — CID 160858711

IUPACtert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1C=NN(C(=O)CO)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCC(=O)O)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2c[nH]c[n+]2c1.CCN(CC)c1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N.C14H23N.C12H16O3.C12H18O2.C12H18O.C11H16O.C10H13F.C10H20N2O2.C10H12N2.C10H14O.C10H14.C9H17N3O2.C9H18N2O.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-4-5-12(10-7-11)8(14)6-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9/h7-10H,4-6,11-12H2,1-3H3;8-11H,6-7H2,1-5H3;4-7H,8H2,1-3H3,(H,13,14);4-7,13H,8-9H2,1-3H3;5-8H,9H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;13H,4-8H2,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7,13H,4-6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3/p+1
InChIKeyJRPAOYLIJLAGND-UHFFFAOYSA-O
MW3405.19 g/mol
LogP40.71
Rot. Bonds20

About tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone

tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 160858711) has the molecular formula C206H347FN23O15+ and a molecular weight of 3405.19 g/mol. Its IUPAC name is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID160858711
Molecular FormulaC206H347FN23O15+
Molecular Weight3405.19 g/mol
Exact Mass3402.71
IUPAC Nametert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1C=NN(C(=O)CO)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCC(=O)O)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2c[nH]c[n+]2c1.CCN(CC)c1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H23N.C14H23N.C12H16O3.C12H18O2.C12H18O.C11H16O.C10H13F.C10H20N2O2.C10H12N2.C10H14O.C10H14.C9H17N3O2.C9H18N2O.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-4-5-12(10-7-11)8(14)6-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9/h7-10H,4-6,11-12H2,1-3H3;8-11H,6-7H2,1-5H3;4-7H,8H2,1-3H3,(H,13,14);4-7,13H,8-9H2,1-3H3;5-8H,9H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;13H,4-8H2,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7,13H,4-6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3/p+1
InChIKeyJRPAOYLIJLAGND-UHFFFAOYSA-O
XLogP40.71
TPSA355.02 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003405.19
LogP ≤ 540.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

CID 157523316
CID 157523316
(2R,3R)-4-(2-amino-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-[[4-(2-ethoxy-4-fluorophenyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 159275224
CID 160077718
CID 160077718
1-[3-(1H-benzimidazol-4-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[[4-(3-cyclobutylbenzimidazol-5-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(2-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindol-6-yl)-2-pyridinyl]amino]propan-2-ol)
CID 157267917
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 157460150
(3S,4S,5S)-4-amino-5-methyl-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;6-fluoro-3-[6-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole;(2S,3S,4S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylpyrrolidine-3,4-diol;6-fluoro-5-propan-2-yloxy-3-[6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]-1H-isoindole;(4S)-5-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane;1-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 158285266
1-[3-(1H-benzimidazol-4-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-cyclohexylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[4-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]piperidin-1-yl]ethanone;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-1-morpholin-4-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-6-yl)phenoxy]propan-2-ol;bis(1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindol-6-yl)-2-pyridinyl]amino]propan-2-ol);1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 158341309
1-[3-[1-(Difluoromethyl)indazol-5-yl]pyrazolo[1,5-a]pyridin-4-yl]-4-methylpiperidine-4-carbonitrile;1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;4-methyl-1-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;methyl 4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylate;bis(4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile);4-methyl-1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxylic acid;2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carboxamide;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]piperidin-4-ol
CID 158435767
CID 159073898
CID 159073898
1-[3-(1H-benzimidazol-4-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-cyclohexylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-1-morpholin-4-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(2-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 159433461
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-tert-butyl-4-ethoxybenzene;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;4-tert-butylmorpholine;4-tert-butylphenol;1-(4-tert-butylphenoxy)propan-2-one;4-(4-tert-butylphenyl)morpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)propan-1-one;1-tert-butylpiperidine;1-tert-butyl-4-propoxybenzene;1-tert-butyl-4-prop-2-ynylpiperazine;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-yl-5,6-dihydro-1,2,4-oxadiazine;1-(4-propan-2-yl-5,6-dihydro-1,2,4-triazin-1-yl)propan-1-one;6-propan-2-ylimidazo[1,5-a]pyridine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;4-propan-2-yl-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1,4-thiazinane 1-oxide;4-propan-2-ylthiomorpholine
CID 159607681
1-amino-3-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;benzyl N-[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]carbamate;1-[3-[4-(imidazo[1,2-a]pyridin-3-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;methyl 1-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxylate
CID 159950199

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 160858711) is tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C(C)C)CC1.CC(C)(C)N1C=NN(C(=O)CO)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCN(C(=O)CO)CC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccc(OCC(=O)O)cc1.CC(C)(C)c1ccc(OCCO)cc1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1ccccc1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)N1CCN(C)CC1.CC(C)c1ccc2c[nH]c[n+]2c1.CCN(CC)c1ccc(C(C)(C)C)cc1.COC1CCN(C(C)C)C1.COCc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is JRPAOYLIJLAGND-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N.C14H23N.C12H16O3.C12H18O2.C12H18O.C11H16O.C10H13F.C10H20N2O2.C10H12N2.C10H14O.C10H14.C9H17N3O2.C9H18N2O.2C8H18N2.2C8H17NO.C8H17N.C8H13N.2C7H12N2/c1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5;1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14;1-12(2,3)10-4-6-11(7-5-10)14-9-8-13;1-12(2,3)11-7-5-10(6-8-11)9-13-4;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)12-6-4-11(5-7-12)9(14)8-13;1-8(2)9-3-4-10-5-11-7-12(10)6-9;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-4-5-12(10-7-11)8(14)6-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-7(2)9-5-4-8(6-9)10-3;2*1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9/h7-10H,4-6,11-12H2,1-3H3;8-11H,6-7H2,1-5H3;4-7H,8H2,1-3H3,(H,13,14);4-7,13H,8-9H2,1-3H3;5-8H,9H2,1-4H3;5-8H,1-4H3;4-7H,1-3H3;13H,4-8H2,1-3H3;3-8H,1-2H3;4-7,11H,1-3H3;4-8H,1-3H3;7,13H,4-6H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;2*4-6H,1-3H3/p+1.
What are the key properties of tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 3405.19 g/mol, XLogP of 40.71, 20 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;4-tert-butyl-N,N-diethylaniline;1-(4-tert-butyl-5,6-dihydro-1,2,4-triazin-1-yl)-2-hydroxyethanone;1-tert-butyl-3-fluorobenzene;1-tert-butylimidazole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-(methoxymethyl)benzene;4-tert-butylmorpholine;4-tert-butylphenol;2-(4-tert-butylphenoxy)acetic acid;2-(4-tert-butylphenoxy)ethanol;1-(4-tert-butylphenyl)piperidine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)-2-hydroxyethanone;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;3-methoxy-1-propan-2-ylpyrrolidine;1-methyl-4-propan-2-ylpiperazine;6-propan-2-yl-2H-imidazo[1,5-a]pyridin-4-ium;1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 160858711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).