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

C14H18F3NO — CID 56876820

IUPAC[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCNCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-4-2-1-3-11(12)9-13(10-19)5-7-18-8-6-13/h1-4,18-19H,5-10H2
InChIKeyCKQCZUCYLFZOAW-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.61
Rot. Bonds3

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

[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 56876820) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID56876820
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCNCC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-4-2-1-3-11(12)9-13(10-19)5-7-18-8-6-13/h1-4,18-19H,5-10H2
InChIKeyCKQCZUCYLFZOAW-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 56876820) is [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is OCC1(Cc2ccccc2C(F)(F)F)CCNCC1.
What is the InChIKey of [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is CKQCZUCYLFZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-4-2-1-3-11(12)9-13(10-19)5-7-18-8-6-13/h1-4,18-19H,5-10H2.
What are the key properties of [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 56876820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).