1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine

C17H19FN2O — CID 11522063

IUPAC1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine
SMILESCOc1ccc(-c2cc(F)cc(N3CCNCC3)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-21-17-4-2-13(3-5-17)14-10-15(18)12-16(11-14)20-8-6-19-7-9-20/h2-5,10-12,19H,6-9H2,1H3
InChIKeyKXKGTIQGCJAZDP-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.91
Rot. Bonds3

About 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine

1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine (PubChem CID 11522063) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine
PubChem CID11522063
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine
SMILESCOc1ccc(-c2cc(F)cc(N3CCNCC3)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-21-17-4-2-13(3-5-17)14-10-15(18)12-16(11-14)20-8-6-19-7-9-20/h2-5,10-12,19H,6-9H2,1H3
InChIKeyKXKGTIQGCJAZDP-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine?
The IUPAC name of 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine (CID 11522063) is 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine?
The canonical SMILES for 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine is COc1ccc(-c2cc(F)cc(N3CCNCC3)c2)cc1.
What is the InChIKey of 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine?
The InChIKey is KXKGTIQGCJAZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-17-4-2-13(3-5-17)14-10-15(18)12-16(11-14)20-8-6-19-7-9-20/h2-5,10-12,19H,6-9H2,1H3.
What are the key properties of 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine?
1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine has a molecular weight of 286.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(4-methoxyphenyl)phenyl]piperazine is sourced from PubChem (CID 11522063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).