2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine

C16H18F2N4O2 — CID 22036368

IUPAC2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
SMILESFc1cccc(F)c1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C16H18F2N4O2/c17-12-2-1-3-13(18)14(12)23-10-11-24-16-15(20-4-5-21-16)22-8-6-19-7-9-22/h1-5,19H,6-11H2
InChIKeyHPILAGQWMWDJIK-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine

2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine (PubChem CID 22036368) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
PubChem CID22036368
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
SMILESFc1cccc(F)c1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C16H18F2N4O2/c17-12-2-1-3-13(18)14(12)23-10-11-24-16-15(20-4-5-21-16)22-8-6-19-7-9-22/h1-5,19H,6-11H2
InChIKeyHPILAGQWMWDJIK-UHFFFAOYSA-N
XLogP1.62
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine 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 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine (CID 22036368) is 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine is Fc1cccc(F)c1OCCOc1nccnc1N1CCNCC1.
What is the InChIKey of 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The InChIKey is HPILAGQWMWDJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c17-12-2-1-3-13(18)14(12)23-10-11-24-16-15(20-4-5-21-16)22-8-6-19-7-9-22/h1-5,19H,6-11H2.
What are the key properties of 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine has a molecular weight of 336.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 22036368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).