4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine

C17H17F2NO — CID 45375938

IUPAC4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine
SMILESFc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
InChIInChI=1S/C17H17F2NO/c18-13-3-1-4-14(11-13)21-16-6-2-5-15(19)17(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
InChIKeyIMXJQWVQVSZOKO-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.22
Rot. Bonds3

About 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine

4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine (PubChem CID 45375938) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine.

Molecular Properties

Compound Name4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine
PubChem CID45375938
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine
SMILESFc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
InChIInChI=1S/C17H17F2NO/c18-13-3-1-4-14(11-13)21-16-6-2-5-15(19)17(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
InChIKeyIMXJQWVQVSZOKO-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine?
The IUPAC name of 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine (CID 45375938) is 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine.
What is the SMILES notation for 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine?
The canonical SMILES for 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine is Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1.
What is the InChIKey of 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine?
The InChIKey is IMXJQWVQVSZOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c18-13-3-1-4-14(11-13)21-16-6-2-5-15(19)17(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2.
What are the key properties of 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine?
4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine has a molecular weight of 289.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(3-fluorophenoxy)phenyl]piperidine is sourced from PubChem (CID 45375938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).