2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine

C22H24N4O — CID 6482768

IUPAC2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-2-27-20-10-8-18(9-11-20)21-16-23-17-22(24-21)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3
InChIKeyDJNHJKGLHFBNAN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.87
Rot. Bonds5

About 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine

2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine (PubChem CID 6482768) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
PubChem CID6482768
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-2-27-20-10-8-18(9-11-20)21-16-23-17-22(24-21)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3
InChIKeyDJNHJKGLHFBNAN-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine (CID 6482768) is 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine is CCOc1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The InChIKey is DJNHJKGLHFBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-27-20-10-8-18(9-11-20)21-16-23-17-22(24-21)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine has a molecular weight of 360.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6482768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).