2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline

C18H17FN4 — CID 4295181

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline
SMILESFc1ccccc1N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H17FN4/c19-14-5-1-4-8-17(14)22-9-11-23(12-10-22)18-13-20-15-6-2-3-7-16(15)21-18/h1-8,13H,9-12H2
InChIKeyVXVGANJCDDDWQK-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.10
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline

2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline (PubChem CID 4295181) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline
PubChem CID4295181
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline
SMILESFc1ccccc1N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H17FN4/c19-14-5-1-4-8-17(14)22-9-11-23(12-10-22)18-13-20-15-6-2-3-7-16(15)21-18/h1-8,13H,9-12H2
InChIKeyVXVGANJCDDDWQK-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.10
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]quinoxaline?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline (CID 4295181) is 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline is Fc1ccccc1N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline?
The InChIKey is VXVGANJCDDDWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c19-14-5-1-4-8-17(14)22-9-11-23(12-10-22)18-13-20-15-6-2-3-7-16(15)21-18/h1-8,13H,9-12H2.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline?
2-[4-(2-fluorophenyl)piperazin-1-yl]quinoxaline has a molecular weight of 308.36 g/mol, XLogP of 3.10, 2 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]quinoxaline is sourced from PubChem (CID 4295181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).