2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine

C16H19FN4O2 — CID 22036493

IUPAC2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
SMILESFc1ccccc1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C16H19FN4O2/c17-13-3-1-2-4-14(13)22-11-12-23-16-15(19-5-6-20-16)21-9-7-18-8-10-21/h1-6,18H,7-12H2
InChIKeyGHOUNYLHZVAUAW-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine

2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine (PubChem CID 22036493) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
PubChem CID22036493
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
SMILESFc1ccccc1OCCOc1nccnc1N1CCNCC1
InChIInChI=1S/C16H19FN4O2/c17-13-3-1-2-4-14(13)22-11-12-23-16-15(19-5-6-20-16)21-9-7-18-8-10-21/h1-6,18H,7-12H2
InChIKeyGHOUNYLHZVAUAW-UHFFFAOYSA-N
XLogP1.48
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine (CID 22036493) is 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine is Fc1ccccc1OCCOc1nccnc1N1CCNCC1.
What is the InChIKey of 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The InChIKey is GHOUNYLHZVAUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-3-1-2-4-14(13)22-11-12-23-16-15(19-5-6-20-16)21-9-7-18-8-10-21/h1-6,18H,7-12H2.
What are the key properties of 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine has a molecular weight of 318.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 22036493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).