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

C14H18F3NO — CID 47035142

IUPAC[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-3-1-11(2-4-13)9-18-7-5-12(10-19)6-8-18/h1-4,12,19H,5-10H2
InChIKeyGPJGJCKPUCHXLX-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.91
Rot. Bonds3

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

[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 47035142) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID47035142
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)13-3-1-11(2-4-13)9-18-7-5-12(10-19)6-8-18/h1-4,12,19H,5-10H2
InChIKeyGPJGJCKPUCHXLX-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperidin-3-ol
CID 85773
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
2-{1-Isobutyl-4-[4-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16190721
2-[4-Cyclobutyl-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723610
2-[4-Cyclobutyl-1-(4-methylbenzyl)piperazin-2-yl]ethanol
CID 23723903
US11214540, Example 7
CID 155138855
(1-Benzylpiperidin-3-yl)methanol
CID 10398044
(R)-(-)-1-Benzyl-3-hydroxypiperidine
CID 693761
(1-Benzylpyrrolidin-3-yl)methanol
CID 5176654
2-[Benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 782694

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 47035142) is [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is GPJGJCKPUCHXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)13-3-1-11(2-4-13)9-18-7-5-12(10-19)6-8-18/h1-4,12,19H,5-10H2.
What are the key properties of [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 47035142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).