1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane

C155H241N13O — CID 158225031

IUPAC1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane
SMILESC.C.C.CC(C)(C)c1ccc(-n2cccn2)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(N2CCCCC2)nc1.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.C14H22N2.C13H16N2.3CH4/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;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;;;/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;7-8,11H,4-6,9-10H2,1-3H3;4-10H,1-3H3;3*1H4
InChIKeyGDRPRQQRRBVMPR-UHFFFAOYSA-N
MW2302.72 g/mol
LogP39.12
Rot. Bonds16

About 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane

1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane (PubChem CID 158225031) has the molecular formula C155H241N13O and a molecular weight of 2302.72 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane.

Molecular Properties

Compound Name1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane
PubChem CID158225031
Molecular FormulaC155H241N13O
Molecular Weight2302.72 g/mol
Exact Mass2300.92
IUPAC Name1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane
SMILESC.C.C.CC(C)(C)c1ccc(-n2cccn2)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(N2CCCCC2)nc1.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.C14H22N2.C13H16N2.3CH4/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;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;;;/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;7-8,11H,4-6,9-10H2,1-3H3;4-10H,1-3H3;3*1H4
InChIKeyGDRPRQQRRBVMPR-UHFFFAOYSA-N
XLogP39.12
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002302.72
LogP ≤ 539.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane with MolForge

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Related Compounds

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
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
13,13-Dimethyl-4-[3-(5-phenylindazol-1-yl)phenoxy]-1,18-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 124114624
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
Cumene;1-fluoro-2-methyl-4-(3-propan-2-ylphenyl)benzene;4-fluoro-2-methyl-1-(3-propan-2-ylphenyl)benzene;1-fluoro-3-(3-propan-2-ylphenyl)benzene;3-fluoro-5-(3-propan-2-ylphenyl)pyridine;1-methoxy-3-(3-propan-2-ylphenyl)benzene;5-methyl-1-phenyl-4-(3-propan-2-ylphenyl)pyrazole;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3-propan-2-ylphenyl)benzene;1-methyl-4-[4-(3-propan-2-ylphenyl)-2-pyridinyl]piperazine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157243037
bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157363975
N,N-dimethyl-3-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]propan-1-amine;4-[[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]methyl]morpholine
CID 157513531
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;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 157757969
3-Cyclopenta-1,4-dien-1-yl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine;6-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-pyrazolo[1,5-a]pyrimidin-3-ylquinoline
CID 157798769
N,N-diethyl-2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethanamine;2-methyl-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;6-(4-methylphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;4-[2-[4-(3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 157841785
3-Cyclopenta-1,4-dien-1-yl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine;methane;3-(4-methylphenyl)-6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidine;6-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;bis(3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine);6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 157912964

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane?
The IUPAC name of 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane (CID 158225031) is 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane.
What is the SMILES notation for 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane?
The canonical SMILES for 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane is C.C.C.CC(C)(C)c1ccc(-n2cccn2)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(N2CCCCC2)nc1.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)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;5-tert-butyl-2-piperidin-1-ylpyridine;methane?
The InChIKey is GDRPRQQRRBVMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.C16H26N2.C16H25N.C16H24O.C15H19N.3C15H23N.C14H22N2.C13H16N2.3CH4/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;1-14(2,3)12-7-8-13(15-11-12)16-9-5-4-6-10-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15;;;/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;7-8,11H,4-6,9-10H2,1-3H3;4-10H,1-3H3;3*1H4.
What are the key properties of 1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane?
1-tert-butyl-4-cyclohexyloxybenzene;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;5-tert-butyl-2-piperidin-1-ylpyridine;methane has a molecular weight of 2302.72 g/mol, XLogP of 39.12, 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)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;5-tert-butyl-2-piperidin-1-ylpyridine;methane is sourced from PubChem (CID 158225031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).