1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole

C151H223N13O — CID 159449493

IUPAC1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole
SMILESCC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(Cn2cccc2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(OC2CCCCC2)cc1.CC(C)(C)c1cccc(CN2CCCCC2)c1.CCCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2.C16H26N2.C16H25N.C16H24O.C15H19N.3C15H23N.2C13H16N2/c1-5-10-18-11-13-19(14-12-18)16-8-6-15(7-9-16)17(2,3)4;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-16(2,3)15-9-7-8-14(12-15)13-17-10-5-4-6-11-17;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)14-8-6-13(7-9-14)12-16-10-4-5-11-16;3*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15/h6-9H,5,10-14H2,1-4H3;5-8H,9-13H2,1-4H3;7-9,12H,4-6,10-11,13H2,1-3H3;9-12,14H,4-8H2,1-3H3;4-11H,12H2,1-3H3;3*7-10H,4-6,11-12H2,1-3H3;2*4-10H,1-3H3
InChIKeyLTEMKXVBSWXSQL-UHFFFAOYSA-N
MW2236.53 g/mol
LogP37.01
Rot. Bonds16

About 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole

1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole (PubChem CID 159449493) has the molecular formula C151H223N13O and a molecular weight of 2236.53 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole.

Molecular Properties

Compound Name1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole
PubChem CID159449493
Molecular FormulaC151H223N13O
Molecular Weight2236.53 g/mol
Exact Mass2234.78
IUPAC Name1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole
SMILESCC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(Cn2cccc2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(OC2CCCCC2)cc1.CC(C)(C)c1cccc(CN2CCCCC2)c1.CCCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H28N2.C16H26N2.C16H25N.C16H24O.C15H19N.3C15H23N.2C13H16N2/c1-5-10-18-11-13-19(14-12-18)16-8-6-15(7-9-16)17(2,3)4;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-16(2,3)15-9-7-8-14(12-15)13-17-10-5-4-6-11-17;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)14-8-6-13(7-9-14)12-16-10-4-5-11-16;3*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15/h6-9H,5,10-14H2,1-4H3;5-8H,9-13H2,1-4H3;7-9,12H,4-6,10-11,13H2,1-3H3;9-12,14H,4-8H2,1-3H3;4-11H,12H2,1-3H3;3*7-10H,4-6,11-12H2,1-3H3;2*4-10H,1-3H3
InChIKeyLTEMKXVBSWXSQL-UHFFFAOYSA-N
XLogP37.01
TPSA75.72 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002236.53
LogP ≤ 537.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole with MolForge

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Related Compounds

3-(4-Imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole;5-(4-imidazol-1-ylphenyl)-1-[(4-phenylmethoxyphenyl)methyl]pyrazole
CID 44530455
4-[4-[5-[2-[4-Fluoro-2-[1-(4-fluorophenyl)-1-[2-[4-(6-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]ethoxy]phenyl]propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124036207
4-[4-[5-[2-[4-fluoro-2-[(1S)-1-(4-fluorophenyl)-1-[2-[4-(6-phenylpyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl]pyrimidin-5-yl]ethoxy]phenyl]propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 144831642
1-Tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)sulfonylpiperidine;1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 161066537
CID 162056230
CID 162056230
1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 162097252
1,5-dimethyl-2,3-di(propan-2-yl)pyrrole;1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-2H-imidazole;2,3-di(propan-2-yl)pyrazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;bis(1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene);bis(4-fluoro-1,2-di(propan-2-yl)benzene);methane;4-methoxy-1,2-di(propan-2-yl)benzene;bis(4-methyl-1,2-di(propan-2-yl)benzene);5-methyl-2,3-di(propan-2-yl)pyrazine;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 162173197
3-[4-[2-[[4-[4-[4-Amino-3-[4-[2-[[4-[4-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]piperazin-1-yl]methyl]phenoxy]phenyl]pyrrolo[3,2-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]methyl]phenoxy]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[4,3-c]pyridin-4-amine
CID 156270999
2-[5-(3-Methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-phenyl-3-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-phenyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157060883
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyridine;2-fluoro-N,4-di(propan-2-yl)aniline;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(4-propan-2-ylphenyl)piperazine;4-propan-2-yl-1-(4-propan-2-ylphenyl)piperidine;4-propan-2-yl-1-(4-propan-2-ylphenyl)triazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;3-propan-2-yl-6-(4-propan-2-ylpiperidin-1-yl)pyridazine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 157169898
3-[4-[3,5-Bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
CID 157172955
N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3-fluoro-2,5-di(propan-2-yl)pyridine;4-fluoro-2,5-di(propan-2-yl)pyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157194985

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole?
The IUPAC name of 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole (CID 159449493) is 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole.
What is the SMILES notation for 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole?
The canonical SMILES for 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole is CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(-n2ccnc2)cc1.CC(C)(C)c1ccc(Cn2cccc2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(OC2CCCCC2)cc1.CC(C)(C)c1cccc(CN2CCCCC2)c1.CCCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole?
The InChIKey is LTEMKXVBSWXSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C16H26N2.C16H25N.C16H24O.C15H19N.3C15H23N.2C13H16N2/c1-5-10-18-11-13-19(14-12-18)16-8-6-15(7-9-16)17(2,3)4;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-16(2,3)15-9-7-8-14(12-15)13-17-10-5-4-6-11-17;1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;1-15(2,3)14-8-6-13(7-9-14)12-16-10-4-5-11-16;3*1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;1-13(2,3)11-4-6-12(7-5-11)15-9-8-14-10-15/h6-9H,5,10-14H2,1-4H3;5-8H,9-13H2,1-4H3;7-9,12H,4-6,10-11,13H2,1-3H3;9-12,14H,4-8H2,1-3H3;4-11H,12H2,1-3H3;3*7-10H,4-6,11-12H2,1-3H3;2*4-10H,1-3H3.
What are the key properties of 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole?
1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole has a molecular weight of 2236.53 g/mol, XLogP of 37.01, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclohexyloxybenzene;1-(4-tert-butylphenyl)imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperidine;1-[(4-tert-butylphenyl)methyl]pyrrole;tris(1-(4-tert-butylphenyl)piperidine);1-(4-tert-butylphenyl)-4-propylpiperazine;1-(4-tert-butylphenyl)pyrazole is sourced from PubChem (CID 159449493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).