1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine

C16H25FN2O — CID 83162048

IUPAC1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine
SMILESCC(C)CCCOc1ccc(F)cc1N1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-13(2)4-3-11-20-16-6-5-14(17)12-15(16)19-9-7-18-8-10-19/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyFXNKPYKUZWKARO-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.05
Rot. Bonds6

About 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine

1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine (PubChem CID 83162048) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine
PubChem CID83162048
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine
SMILESCC(C)CCCOc1ccc(F)cc1N1CCNCC1
InChIInChI=1S/C16H25FN2O/c1-13(2)4-3-11-20-16-6-5-14(17)12-15(16)19-9-7-18-8-10-19/h5-6,12-13,18H,3-4,7-11H2,1-2H3
InChIKeyFXNKPYKUZWKARO-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine?
The IUPAC name of 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine (CID 83162048) is 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine?
The canonical SMILES for 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine is CC(C)CCCOc1ccc(F)cc1N1CCNCC1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine?
The InChIKey is FXNKPYKUZWKARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(2)4-3-11-20-16-6-5-14(17)12-15(16)19-9-7-18-8-10-19/h5-6,12-13,18H,3-4,7-11H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine?
1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine has a molecular weight of 280.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylpentoxy)phenyl]piperazine is sourced from PubChem (CID 83162048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).