[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol

C22H29NO — CID 174760592

IUPAC[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
SMILESCC(C)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29NO/c1-18(2)17-23-15-13-21(14-16-23)22(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,24H,13-17H2,1-2H3
InChIKeyXPLCJMJBXWXIAK-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.29
Rot. Bonds5

About [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol

[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol (PubChem CID 174760592) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
PubChem CID174760592
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol
SMILESCC(C)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H29NO/c1-18(2)17-23-15-13-21(14-16-23)22(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,24H,13-17H2,1-2H3
InChIKeyXPLCJMJBXWXIAK-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-3,7,11-trimethyldodecane-2,3-diol
CID 139677212
(1-ethylpiperidin-4-yl)-phenyl-pyridin-4-ylmethanol
CID 21135924
[1-[3-(3-methoxyphenoxy)-2-methylpropyl]piperidin-4-yl]-diphenylmethanol
CID 54669647
2-[4-[1-hydroxy-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
CID 59041922
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 26917919
[1-[4-(4-methylphenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669110
(1-butylazepan-4-yl)-diphenylmethanol
CID 21135914
[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669285
(2S)-1-(4-chlorophenoxy)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 53464119
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
(1-benzylpiperidin-4-yl)-bis(4-methylphenyl)methanol
CID 14698737
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-1-ol
CID 15788976

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol (CID 174760592) is [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol is CC(C)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol?
The InChIKey is XPLCJMJBXWXIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-18(2)17-23-15-13-21(14-16-23)22(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21,24H,13-17H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol?
[1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol has a molecular weight of 323.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 174760592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).