[4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C21H24F3NO — CID 42158695

IUPAC[4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2)CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)19-9-5-4-8-18(19)15-25-12-10-20(16-26,11-13-25)14-17-6-2-1-3-7-17/h1-9,26H,10-16H2
InChIKeyIBGLYSHAMXHPKN-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.52
Rot. Bonds5

About [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 42158695) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID42158695
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name[4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2)CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C21H24F3NO/c22-21(23,24)19-9-5-4-8-18(19)15-25-12-10-20(16-26,11-13-25)14-17-6-2-1-3-7-17/h1-9,26H,10-16H2
InChIKeyIBGLYSHAMXHPKN-UHFFFAOYSA-N
XLogP4.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-4-(1-piperidinyl)cyclohexanol
CID 162171
1-(1-Benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
CID 10088107
(R)-2-((R)-1-benzylpiperidin-2-yl)-2-phenylethanol
CID 10685307
{1-(3,5-Difluorobenzyl)-4-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16191171
{1-Benzyl-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16191371
2-{1-Isopropyl-4-[2-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16191759
[1-(4-Fluorobenzyl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191979
[3-(2-Fluorobenzyl)-1-(2,3,6-trifluorobenzyl)-3-piperidinyl]methanol
CID 23723683
{4-(2-phenylethyl)-1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}methanol
CID 23723787
1-(1-Benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride
CID 45262157
[4-Benzyl-1-(2,3-difluorobenzyl)-4-piperidinyl]methanol
CID 16191556
[3-(2-Fluorobenzyl)-1-(2-phenylethyl)piperidin-3-yl]methanol
CID 23723607

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 42158695) is [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is OCC1(Cc2ccccc2)CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is IBGLYSHAMXHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c22-21(23,24)19-9-5-4-8-18(19)15-25-12-10-20(16-26,11-13-25)14-17-6-2-1-3-7-17/h1-9,26H,10-16H2.
What are the key properties of [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 363.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 42158695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).