1-[2-(4-fluorophenoxy)phenyl]piperazine

C16H17FN2O — CID 45483431

IUPAC1-[2-(4-fluorophenoxy)phenyl]piperazine
SMILESFc1ccc(Oc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H17FN2O/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19/h1-8,18H,9-12H2
InChIKeyVWVYZCFGGWGOMP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-(4-fluorophenoxy)phenyl]piperazine

1-[2-(4-fluorophenoxy)phenyl]piperazine (PubChem CID 45483431) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)phenyl]piperazine
PubChem CID45483431
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-[2-(4-fluorophenoxy)phenyl]piperazine
SMILESFc1ccc(Oc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C16H17FN2O/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19/h1-8,18H,9-12H2
InChIKeyVWVYZCFGGWGOMP-UHFFFAOYSA-N
XLogP3.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)phenyl]piperazine?
The IUPAC name of 1-[2-(4-fluorophenoxy)phenyl]piperazine (CID 45483431) is 1-[2-(4-fluorophenoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-(4-fluorophenoxy)phenyl]piperazine is Fc1ccc(Oc2ccccc2N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)phenyl]piperazine?
The InChIKey is VWVYZCFGGWGOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19/h1-8,18H,9-12H2.
What are the key properties of 1-[2-(4-fluorophenoxy)phenyl]piperazine?
1-[2-(4-fluorophenoxy)phenyl]piperazine has a molecular weight of 272.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)phenyl]piperazine is sourced from PubChem (CID 45483431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).