1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine

C102H149N9O3 — CID 159000325

IUPAC1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.CC(C)(C)c1ccnc(CC2CCCC2)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CN(c1cc(C(C)(C)C)ccn1)C1CCC1.COc1cc(C(C)(C)C)cc(NC2CCC2)n1
InChIInChI=1S/C22H29NO.C21H28N2O.C16H25N.C15H23N.C14H22N2O.C14H22N2/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-21(2,3)18-4-6-19(7-5-18)24-20-10-14-23(15-11-20)16-17-8-12-22-13-9-17;1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-8-9-16-14(11-13)10-12-6-4-5-7-12;1-14(2,3)10-8-12(15-11-6-5-7-11)16-13(9-10)17-4;1-14(2,3)11-8-9-15-13(10-11)16(4)12-6-5-7-12/h4-12,21H,13-17H2,1-3H3;4-9,12-13,20H,10-11,14-16H2,1-3H3;9-10,12-13H,4-8,11H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3;8-9,11H,5-7H2,1-4H3,(H,15,16);8-10,12H,5-7H2,1-4H3
InChIKeyJRGMWDJTGMAWHT-UHFFFAOYSA-N
MW1549.37 g/mol
LogP24.78
Rot. Bonds17

About 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine

1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine (PubChem CID 159000325) has the molecular formula C102H149N9O3 and a molecular weight of 1549.37 g/mol. Its IUPAC name is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine
PubChem CID159000325
Molecular FormulaC102H149N9O3
Molecular Weight1549.37 g/mol
Exact Mass1548.18
IUPAC Name1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.CC(C)(C)c1ccnc(CC2CCCC2)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CN(c1cc(C(C)(C)C)ccn1)C1CCC1.COc1cc(C(C)(C)C)cc(NC2CCC2)n1
InChIInChI=1S/C22H29NO.C21H28N2O.C16H25N.C15H23N.C14H22N2O.C14H22N2/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-21(2,3)18-4-6-19(7-5-18)24-20-10-14-23(15-11-20)16-17-8-12-22-13-9-17;1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-8-9-16-14(11-13)10-12-6-4-5-7-12;1-14(2,3)10-8-12(15-11-6-5-7-11)16-13(9-10)17-4;1-14(2,3)11-8-9-15-13(10-11)16(4)12-6-5-7-12/h4-12,21H,13-17H2,1-3H3;4-9,12-13,20H,10-11,14-16H2,1-3H3;9-10,12-13H,4-8,11H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3;8-9,11H,5-7H2,1-4H3,(H,15,16);8-10,12H,5-7H2,1-4H3
InChIKeyJRGMWDJTGMAWHT-UHFFFAOYSA-N
XLogP24.78
TPSA113.89 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.37
LogP ≤ 524.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-[(2-Methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137659287
6-(2,5-difluorophenyl)-3-ethenyl-N-methyl-4-[5-(4-piperidin-4-yloxyphenyl)-3-pyridinyl]pyridin-2-amine
CID 123614613
N-(2,5-difluoro-4-pyridinyl)-4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methylpyridin-2-amine
CID 135216170
4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 135216173
4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methyl-N-pyridin-2-ylpyridin-2-amine
CID 135216751
4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 142788978
4-[(3-hydroxy-1-adamantyl)methyl]-2-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidine-5-carbonitrile;methane;bis(2,2,4,4-tetramethyl-3-[[5-(trifluoromethyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclobutan-1-ol);trans-(1R,3R)-2,2-dimethyl-3-[[5-(trifluoromethyl)-2-[[2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 157278549
cis-(1S,4R)-2,2-dimethyl-4-[[5-(trifluoromethyl)-2-[[2-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclohexan-1-ol;[(1S,3R)-2,2-dimethyl-3-[[5-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]amino]cyclobutyl]methanol;1-methyl-4-[[2-[[2-(4-methylphenoxy)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol;trans-(1R,3R)-3-[[2-[2-[4-(1,1-difluoroethyl)-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 157415405
cis-(1R,3S)-2,2-dimethyl-3-[[5-(trifluoromethyl)-2-[[2-(3,3,3-trifluoropropoxy)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclobutan-1-ol;methane;4-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-(trifluoromethyl)-2-N-[[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine;1-methyl-4-[[2-[(2-phenyl-3-pyridinyl)methylamino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[5-(trifluoromethyl)-2-[[2-(trifluoromethyl)-3-pyridinyl]methylamino]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 158138695
4-tert-butyl-6-(cyclobutylmethyl)pyrimidine;4-tert-butyl-N-cyclobutyl-6-morpholin-4-ylpyridin-2-amine;4-tert-butyl-2-cyclobutyloxypyridine;6-tert-butyl-N-(2-methoxyethyl)pyrimidin-4-amine;4-tert-butyl-5-methyl-2-[[1-(2,2,2-trifluoroethyl)azetidin-3-yl]methyl]pyridine;4-tert-butyl-N-methyl-N-(5,5,5-trifluoropentyl)pyridin-2-amine;4-tert-butyl-6-[[(3S)-oxolan-3-yl]methyl]pyrimidine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine;N-(6-tert-butylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 159301631
N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
CID 159883482
2-(2-ethoxy-3-pyridinyl)-3'-ethyl-1'-[4-methoxy-3-(trifluoromethyl)-2-pyridinyl]-7-[[(2R)-pyrrolidin-2-yl]methyl]spiro[6,8-dihydro-1,7-naphthyridine-5,4'-piperidine]
CID 172283120

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine (CID 159000325) is 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine is CC(C)(C)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1.CC(C)(C)c1ccc(OC2CCN(Cc3ccncc3)CC2)cc1.CC(C)(C)c1ccnc(CC2CCCC2)c1.CC(C)(C)c1ccnc(CC2CCCCC2)c1.CN(c1cc(C(C)(C)C)ccn1)C1CCC1.COc1cc(C(C)(C)C)cc(NC2CCC2)n1.
What is the InChIKey of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine?
The InChIKey is JRGMWDJTGMAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.C21H28N2O.C16H25N.C15H23N.C14H22N2O.C14H22N2/c1-22(2,3)19-9-11-20(12-10-19)24-21-13-15-23(16-14-21)17-18-7-5-4-6-8-18;1-21(2,3)18-4-6-19(7-5-18)24-20-10-14-23(15-11-20)16-17-8-12-22-13-9-17;1-16(2,3)14-9-10-17-15(12-14)11-13-7-5-4-6-8-13;1-15(2,3)13-8-9-16-14(11-13)10-12-6-4-5-7-12;1-14(2,3)10-8-12(15-11-6-5-7-11)16-13(9-10)17-4;1-14(2,3)11-8-9-15-13(10-11)16(4)12-6-5-7-12/h4-12,21H,13-17H2,1-3H3;4-9,12-13,20H,10-11,14-16H2,1-3H3;9-10,12-13H,4-8,11H2,1-3H3;8-9,11-12H,4-7,10H2,1-3H3;8-9,11H,5-7H2,1-4H3,(H,15,16);8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine?
1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine has a molecular weight of 1549.37 g/mol, XLogP of 24.78, 17 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tert-butylphenoxy)piperidine;4-tert-butyl-N-cyclobutyl-6-methoxypyridin-2-amine;4-tert-butyl-N-cyclobutyl-N-methylpyridin-2-amine;4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine;4-[[4-(4-tert-butylphenoxy)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 159000325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).