4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol

C12H14F3NO2 — CID 23149816

IUPAC4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(OC(F)(F)F)c2)CCNCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-2-9(8-10)11(17)4-6-16-7-5-11/h1-3,8,16-17H,4-7H2
InChIKeyCLNPVFGKRQXBQY-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.16
Rot. Bonds2

About 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol

4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol (PubChem CID 23149816) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
PubChem CID23149816
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(OC(F)(F)F)c2)CCNCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-2-9(8-10)11(17)4-6-16-7-5-11/h1-3,8,16-17H,4-7H2
InChIKeyCLNPVFGKRQXBQY-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The IUPAC name of 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol (CID 23149816) is 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The canonical SMILES for 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol is OC1(c2cccc(OC(F)(F)F)c2)CCNCC1.
What is the InChIKey of 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
The InChIKey is CLNPVFGKRQXBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)18-10-3-1-2-9(8-10)11(17)4-6-16-7-5-11/h1-3,8,16-17H,4-7H2.
What are the key properties of 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol?
4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol has a molecular weight of 261.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol is sourced from PubChem (CID 23149816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).