2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine

C23H26N4O — CID 6482907

IUPAC2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-3-28-21-10-6-19(7-11-21)22-16-24-17-23(25-22)27-14-12-26(13-15-27)20-8-4-18(2)5-9-20/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyVHUYSWZZANYOJL-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine

2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine (PubChem CID 6482907) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
PubChem CID6482907
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccc(C)cc4)CC3)n2)cc1
InChIInChI=1S/C23H26N4O/c1-3-28-21-10-6-19(7-11-21)22-16-24-17-23(25-22)27-14-12-26(13-15-27)20-8-4-18(2)5-9-20/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyVHUYSWZZANYOJL-UHFFFAOYSA-N
XLogP4.18
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine (CID 6482907) is 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine is CCOc1ccc(-c2cncc(N3CCN(c4ccc(C)cc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
The InChIKey is VHUYSWZZANYOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-28-21-10-6-19(7-11-21)22-16-24-17-23(25-22)27-14-12-26(13-15-27)20-8-4-18(2)5-9-20/h4-11,16-17H,3,12-15H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine has a molecular weight of 374.49 g/mol, XLogP of 4.18, 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-(4-methylphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).