4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol

C12H14F3NO2 — CID 123599600

IUPAC4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol
SMILESOC1(Oc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)9-2-1-3-10(8-9)18-11(17)4-6-16-7-5-11/h1-3,8,16-17H,4-7H2
InChIKeyIDHFIOQJLJUVLN-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.16
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol

4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol (PubChem CID 123599600) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol
PubChem CID123599600
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol
SMILESOC1(Oc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)9-2-1-3-10(8-9)18-11(17)4-6-16-7-5-11/h1-3,8,16-17H,4-7H2
InChIKeyIDHFIOQJLJUVLN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 63156452
(3R)-3-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 124566972
1-[4-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 14649985
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255
3-(4-methylpiperidin-4-yl)oxyphenol
CID 115025182
[3-(trifluoromethyl)phenyl] 3-piperidin-4-ylpropanoate
CID 117125836
CID 59626106
CID 59626106
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 117104002
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690
4-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,2,3,6-tetrahydropyridine
CID 117125485

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol (CID 123599600) is 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol is OC1(Oc2cccc(C(F)(F)F)c2)CCNCC1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol?
The InChIKey is IDHFIOQJLJUVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)9-2-1-3-10(8-9)18-11(17)4-6-16-7-5-11/h1-3,8,16-17H,4-7H2.
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]piperidin-4-ol?
4-[3-(trifluoromethyl)phenoxy]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-(trifluoromethyl)phenoxy]piperidin-4-ol is sourced from PubChem (CID 123599600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).