1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol

C13H17F2NO2 — CID 39358873

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2NO2/c14-10-1-2-13(12(15)9-10)18-8-7-16-5-3-11(17)4-6-16/h1-2,9,11,17H,3-8H2
InChIKeyKKPFDJZTZOKVCH-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol

1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol (PubChem CID 39358873) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
PubChem CID39358873
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
SMILESOC1CCN(CCOc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2NO2/c14-10-1-2-13(12(15)9-10)18-8-7-16-5-3-11(17)4-6-16/h1-2,9,11,17H,3-8H2
InChIKeyKKPFDJZTZOKVCH-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol (CID 39358873) is 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol is OC1CCN(CCOc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol?
The InChIKey is KKPFDJZTZOKVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-10-1-2-13(12(15)9-10)18-8-7-16-5-3-11(17)4-6-16/h1-2,9,11,17H,3-8H2.
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol?
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol has a molecular weight of 257.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol is sourced from PubChem (CID 39358873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).