[6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol

C13H16F3NO — CID 117168237

IUPAC[6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol
SMILESOCC1CCCC(c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-2-1-5-10(11)12-7-3-4-9(8-18)17-12/h1-2,5-6,9,12,17-18H,3-4,7-8H2
InChIKeyVOPWYRVNIZJWJL-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.88
Rot. Bonds2

About [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol

[6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol (PubChem CID 117168237) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol
PubChem CID117168237
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name[6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol
SMILESOCC1CCCC(c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-6-2-1-5-10(11)12-7-3-4-9(8-18)17-12/h1-2,5-6,9,12,17-18H,3-4,7-8H2
InChIKeyVOPWYRVNIZJWJL-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol?
The IUPAC name of [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol (CID 117168237) is [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol.
What is the SMILES notation for [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol?
The canonical SMILES for [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol is OCC1CCCC(c2ccccc2C(F)(F)F)N1.
What is the InChIKey of [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol?
The InChIKey is VOPWYRVNIZJWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-6-2-1-5-10(11)12-7-3-4-9(8-18)17-12/h1-2,5-6,9,12,17-18H,3-4,7-8H2.
What are the key properties of [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol?
[6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol has a molecular weight of 259.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanol is sourced from PubChem (CID 117168237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).