2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine

C16H19FN4O — CID 71847347

IUPAC2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
SMILESCCOc1cncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O/c1-2-22-16-12-18-11-15(19-16)21-9-7-20(8-10-21)14-6-4-3-5-13(14)17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyWIOKYRMLEWLEOI-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.34
Rot. Bonds4

About 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine

2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine (PubChem CID 71847347) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
PubChem CID71847347
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
SMILESCCOc1cncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C16H19FN4O/c1-2-22-16-12-18-11-15(19-16)21-9-7-20(8-10-21)14-6-4-3-5-13(14)17/h3-6,11-12H,2,7-10H2,1H3
InChIKeyWIOKYRMLEWLEOI-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine (CID 71847347) is 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine is CCOc1cncc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
The InChIKey is WIOKYRMLEWLEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-22-16-12-18-11-15(19-16)21-9-7-20(8-10-21)14-6-4-3-5-13(14)17/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine has a molecular weight of 302.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 71847347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).