1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C13H16F3NO — CID 763220

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)9-17-6-4-12(18)5-7-17/h1-3,8,12,18H,4-7,9H2
InChIKeyKBEIGZLLGAEFNB-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.66
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 763220) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID763220
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)9-17-6-4-12(18)5-7-17/h1-3,8,12,18H,4-7,9H2
InChIKeyKBEIGZLLGAEFNB-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 763220) is 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is KBEIGZLLGAEFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)9-17-6-4-12(18)5-7-17/h1-3,8,12,18H,4-7,9H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 259.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 763220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).