[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

C30H37NO — CID 118322614

IUPAC[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(C)(C)c1ccccc1CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H37NO/c1-29(2,3)28-17-11-10-12-24(28)18-21-31-22-19-27(20-23-31)30(32,25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-17,27,32H,18-23H2,1-3H3
InChIKeyFLQYCUYZLIWCAO-UHFFFAOYSA-N
MW427.63 g/mol
LogP6.17
Rot. Bonds6

About [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol

[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 118322614) has the molecular formula C30H37NO and a molecular weight of 427.63 g/mol. Its IUPAC name is [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
PubChem CID118322614
Molecular FormulaC30H37NO
Molecular Weight427.63 g/mol
Exact Mass427.29
IUPAC Name[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol
SMILESCC(C)(C)c1ccccc1CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H37NO/c1-29(2,3)28-17-11-10-12-24(28)18-21-31-22-19-27(20-23-31)30(32,25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-17,27,32H,18-23H2,1-3H3
InChIKeyFLQYCUYZLIWCAO-UHFFFAOYSA-N
XLogP6.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976
1-tert-butyl-4-(2-chloroethyl)benzene;[1-[2-(4-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol;diphenyl(piperidin-4-yl)methanol
CID 157311836
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
CID 174760592
2-[2-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
CID 54420735
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol;ethanol
CID 66603923
5-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazolidin-2-one
CID 19836727
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
2-[3-hydroxy-2-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
CID 67659596
2-[3-[5-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxopentyl]-2,4-dimethylphenyl]acetic acid
CID 91399798
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
1-benzothiophen-2-yl-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 18930373

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol (CID 118322614) is [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is CC(C)(C)c1ccccc1CCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is FLQYCUYZLIWCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO/c1-29(2,3)28-17-11-10-12-24(28)18-21-31-22-19-27(20-23-31)30(32,25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-17,27,32H,18-23H2,1-3H3.
What are the key properties of [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol?
[1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 427.63 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-tert-butylphenyl)ethyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 118322614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).