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

C21H21FN4 — CID 6482771

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine
SMILESCc1ccccc1-c1cncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H21FN4/c1-16-6-2-3-7-17(16)19-14-23-15-21(24-19)26-12-10-25(11-13-26)20-9-5-4-8-18(20)22/h2-9,14-15H,10-13H2,1H3
InChIKeyBQGWJQABTFLKJS-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.92
Rot. Bonds3

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

2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine (PubChem CID 6482771) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine
PubChem CID6482771
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine
SMILESCc1ccccc1-c1cncc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H21FN4/c1-16-6-2-3-7-17(16)19-14-23-15-21(24-19)26-12-10-25(11-13-26)20-9-5-4-8-18(20)22/h2-9,14-15H,10-13H2,1H3
InChIKeyBQGWJQABTFLKJS-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine (CID 6482771) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine is Cc1ccccc1-c1cncc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine?
The InChIKey is BQGWJQABTFLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4/c1-16-6-2-3-7-17(16)19-14-23-15-21(24-19)26-12-10-25(11-13-26)20-9-5-4-8-18(20)22/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine has a molecular weight of 348.43 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine is sourced from PubChem (CID 6482771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).