1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol

C35H47NO — CID 59946302

IUPAC1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol
SMILESCC1(CC(C)(c2ccccc2)c2ccccc2)CCN(CCCC(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C35H47NO/c1-33(2,3)29-20-18-28(19-21-29)32(37)17-12-24-36-25-22-34(4,23-26-36)27-35(5,30-13-8-6-9-14-30)31-15-10-7-11-16-31/h6-11,13-16,18-21,32,37H,12,17,22-27H2,1-5H3
InChIKeyZORNAEYXNAOIEQ-UHFFFAOYSA-N
MW497.77 g/mol
LogP8.30
Rot. Bonds9

About 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol

1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol (PubChem CID 59946302) has the molecular formula C35H47NO and a molecular weight of 497.77 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol
PubChem CID59946302
Molecular FormulaC35H47NO
Molecular Weight497.77 g/mol
Exact Mass497.37
IUPAC Name1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol
SMILESCC1(CC(C)(c2ccccc2)c2ccccc2)CCN(CCCC(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C35H47NO/c1-33(2,3)29-20-18-28(19-21-29)32(37)17-12-24-36-25-22-34(4,23-26-36)27-35(5,30-13-8-6-9-14-30)31-15-10-7-11-16-31/h6-11,13-16,18-21,32,37H,12,17,22-27H2,1-5H3
InChIKeyZORNAEYXNAOIEQ-UHFFFAOYSA-N
XLogP8.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol with MolForge

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Related Compounds

(1R)-4-(4-benzhydrylpiperazin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
CID 76965746
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976
4-(4-ethylpiperazin-1-yl)-1-phenylbutan-1-ol
CID 20795319
3-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-3-methylbut-1-en-2-ol
CID 89189674
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;yttrium
CID 169429870
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
2-[4-[1-hydroxy-4-[4-(3-hydroxy-3,3-diphenylpropyl)piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
CID 71061836
1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
1-(4-tert-butylphenyl)pentan-1-ol
CID 22486867
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
CID 64513068
1-[4-(1-hydroxybutan-2-yl)phenyl]-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 141172906

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol (CID 59946302) is 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol is CC1(CC(C)(c2ccccc2)c2ccccc2)CCN(CCCC(O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol?
The InChIKey is ZORNAEYXNAOIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47NO/c1-33(2,3)29-20-18-28(19-21-29)32(37)17-12-24-36-25-22-34(4,23-26-36)27-35(5,30-13-8-6-9-14-30)31-15-10-7-11-16-31/h6-11,13-16,18-21,32,37H,12,17,22-27H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol?
1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol has a molecular weight of 497.77 g/mol, XLogP of 8.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-[4-(2,2-diphenylpropyl)-4-methylpiperidin-1-yl]butan-1-ol is sourced from PubChem (CID 59946302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).