4-(2,4-difluorophenoxy)piperidine

C11H13F2NO — CID 22397496

IUPAC4-(2,4-difluorophenoxy)piperidine
SMILESFc1ccc(OC2CCNCC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyLJTKODIQFDAGSL-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.10
Rot. Bonds2

About 4-(2,4-difluorophenoxy)piperidine

4-(2,4-difluorophenoxy)piperidine (PubChem CID 22397496) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)piperidine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)piperidine
PubChem CID22397496
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(2,4-difluorophenoxy)piperidine
SMILESFc1ccc(OC2CCNCC2)c(F)c1
InChIInChI=1S/C11H13F2NO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyLJTKODIQFDAGSL-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)piperidine?
The IUPAC name of 4-(2,4-difluorophenoxy)piperidine (CID 22397496) is 4-(2,4-difluorophenoxy)piperidine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)piperidine?
The canonical SMILES for 4-(2,4-difluorophenoxy)piperidine is Fc1ccc(OC2CCNCC2)c(F)c1.
What is the InChIKey of 4-(2,4-difluorophenoxy)piperidine?
The InChIKey is LJTKODIQFDAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14H,3-6H2.
What are the key properties of 4-(2,4-difluorophenoxy)piperidine?
4-(2,4-difluorophenoxy)piperidine has a molecular weight of 213.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)piperidine is sourced from PubChem (CID 22397496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).