4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine

C145H219N17O4 — CID 161323258

IUPAC4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine
SMILESCC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)nc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O.C16H26N2.2C15H23NO.C15H23N.C14H22N2.C14H18N2.C14H21NO.C13H21N3.C13H16N2/c1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;1-14(2,3)13-6-4-12(5-7-13)10-16-9-8-15-11-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-13(2,3)11-4-5-12(15-10-11)16-8-6-14-7-9-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15/h4-7,19H,8-13H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;7-10H,4-6,11-12H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10,14H,6-9H2,1-3H3;4-10H,1-3H3
InChIKeyVKKUYOUJNRQJSG-UHFFFAOYSA-N
MW2264.46 g/mol
LogP28.14
Rot. Bonds16

About 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine

4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine (PubChem CID 161323258) has the molecular formula C145H219N17O4 and a molecular weight of 2264.46 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine
PubChem CID161323258
Molecular FormulaC145H219N17O4
Molecular Weight2264.46 g/mol
Exact Mass2262.75
IUPAC Name4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine
SMILESCC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)nc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O.C16H26N2.2C15H23NO.C15H23N.C14H22N2.C14H18N2.C14H21NO.C13H21N3.C13H16N2/c1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;1-14(2,3)13-6-4-12(5-7-13)10-16-9-8-15-11-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-13(2,3)11-4-5-12(15-10-11)16-8-6-14-7-9-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15/h4-7,19H,8-13H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;7-10H,4-6,11-12H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10,14H,6-9H2,1-3H3;4-10H,1-3H3
InChIKeyVKKUYOUJNRQJSG-UHFFFAOYSA-N
XLogP28.14
TPSA161.70 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002264.46
LogP ≤ 528.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine with MolForge

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Related Compounds

cis-(1R,4S)-2,2-dimethyl-4-[[2-[[2-(5-methyltriazol-1-yl)phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclohexan-1-ol;2-[(2-ethoxy-6-fluorophenyl)methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;2-[(2-fluoro-6-methoxyphenyl)methylamino]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carbonitrile;4-[(4-hydroxycyclohexyl)amino]-2-[(2-pyrazol-1-ylphenyl)methylamino]pyrimidine-5-carbonitrile
CID 157446822
4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
CID 158423032
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
4-[[1-[[4-[2-[3-[4-[4-[4-[[4-[(2-Cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-8-oxa-2,3,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-5-yl]phenyl]-5-fluorophenyl]-1-methyl-5-phenylimidazol-4-yl]phenyl]methyl]piperidin-4-yl]amino]pyrimidine-2-carbonitrile
CID 177136730
1-[3-[4-[2-[2-[[6-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]-(oxan-4-yl)amino]ethyl]-3-methylimidazol-4-yl]-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-4-[3-[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropyl]phenoxy]-3-(methylamino)propan-2-ol
CID 162575240
1-[3-[4-(2,3-Dimethylimidazol-4-yl)-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-4-[3-[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropyl]phenoxy]-3-(methylamino)propan-2-ol
CID 123187083
(2R)-4-[5-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-2-[2-[5-(1-methylpyrazol-4-yl)-4,5-dihydrotriazolo[4,5-b]pyrazin-3-yl]ethyl]morpholine
CID 137307762
4-[4-[8-[4-(1H-imidazol-2-yl)phenyl]-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-[4-methoxy-8-(1-methylpyrazol-4-yl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 144929858
1-[3-[4-(2,3-Dimethylimidazol-4-yl)-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]phenoxy]propan-2-ol
CID 145047695
1-(Cyclohexylmethoxy)-4-methylbenzene;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine;methane;3-methyl-1-[(4-methylphenyl)methyl]piperidine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenoxy)ethyl]piperidine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);4-(4-methylphenyl)piperidine;1-(5-methyl-2-pyridinyl)piperazine;1-(5-methyl-2-pyridinyl)-4-propylpiperazine
CID 157078798
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine?
The IUPAC name of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine (CID 161323258) is 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine?
The canonical SMILES for 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine is CC(C)(C)c1ccc(-n2cccn2)cc1.CC(C)(C)c1ccc(Cn2ccnc2)cc1.CC(C)(C)c1ccc(N2CCCCC2)cc1.CC(C)(C)c1ccc(N2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)cc1.CC(C)(C)c1ccc(N2CCNCC2)nc1.CC(C)(C)c1ccc(N2CCOCC2)cc1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(CN2CCOCC2)c1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine?
The InChIKey is VKKUYOUJNRQJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C16H26N2.2C15H23NO.C15H23N.C14H22N2.C14H18N2.C14H21NO.C13H21N3.C13H16N2/c1-16(2,3)14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-19;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-15(2,3)14-6-4-5-13(11-14)12-16-7-9-17-10-8-16;1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16;1-14(2,3)13-6-4-12(5-7-13)10-16-9-8-15-11-16;1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15;1-13(2,3)11-4-5-12(15-10-11)16-8-6-14-7-9-16;1-13(2,3)11-5-7-12(8-6-11)15-10-4-9-14-15/h4-7,19H,8-13H2,1-3H3;5-8H,9-13H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;4-6,11H,7-10,12H2,1-3H3;7-10H,4-6,11-12H2,1-3H3;4-7,15H,8-11H2,1-3H3;4-9,11H,10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10,14H,6-9H2,1-3H3;4-10H,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine?
4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine has a molecular weight of 2264.46 g/mol, XLogP of 28.14, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)piperidine;1-[(4-tert-butylphenyl)methyl]imidazole;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(3-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;1-(4-tert-butylphenyl)piperazine;2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanol;1-(4-tert-butylphenyl)piperidine;1-(4-tert-butylphenyl)pyrazole;1-(5-tert-butyl-2-pyridinyl)piperazine is sourced from PubChem (CID 161323258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).