4-[1-(3,5-difluorophenoxy)ethyl]piperidine

C13H17F2NO — CID 117051139

IUPAC4-[1-(3,5-difluorophenoxy)ethyl]piperidine
SMILESCC(Oc1cc(F)cc(F)c1)C1CCNCC1
InChIInChI=1S/C13H17F2NO/c1-9(10-2-4-16-5-3-10)17-13-7-11(14)6-12(15)8-13/h6-10,16H,2-5H2,1H3
InChIKeyNJDUTWGCSSLOCC-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.73
Rot. Bonds3

About 4-[1-(3,5-difluorophenoxy)ethyl]piperidine

4-[1-(3,5-difluorophenoxy)ethyl]piperidine (PubChem CID 117051139) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[1-(3,5-difluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-(3,5-difluorophenoxy)ethyl]piperidine
PubChem CID117051139
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name4-[1-(3,5-difluorophenoxy)ethyl]piperidine
SMILESCC(Oc1cc(F)cc(F)c1)C1CCNCC1
InChIInChI=1S/C13H17F2NO/c1-9(10-2-4-16-5-3-10)17-13-7-11(14)6-12(15)8-13/h6-10,16H,2-5H2,1H3
InChIKeyNJDUTWGCSSLOCC-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-difluorophenoxy)ethyl]piperidine?
The IUPAC name of 4-[1-(3,5-difluorophenoxy)ethyl]piperidine (CID 117051139) is 4-[1-(3,5-difluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-[1-(3,5-difluorophenoxy)ethyl]piperidine?
The canonical SMILES for 4-[1-(3,5-difluorophenoxy)ethyl]piperidine is CC(Oc1cc(F)cc(F)c1)C1CCNCC1.
What is the InChIKey of 4-[1-(3,5-difluorophenoxy)ethyl]piperidine?
The InChIKey is NJDUTWGCSSLOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(10-2-4-16-5-3-10)17-13-7-11(14)6-12(15)8-13/h6-10,16H,2-5H2,1H3.
What are the key properties of 4-[1-(3,5-difluorophenoxy)ethyl]piperidine?
4-[1-(3,5-difluorophenoxy)ethyl]piperidine has a molecular weight of 241.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-difluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 117051139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).