[4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone

C15H15FN4O — CID 862120

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H15FN4O/c16-12-3-1-2-4-14(12)19-7-9-20(10-8-19)15(21)13-11-17-5-6-18-13/h1-6,11H,7-10H2
InChIKeyMEAKNEYJJAHNAS-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.58
Rot. Bonds2

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

[4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 862120) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID862120
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H15FN4O/c16-12-3-1-2-4-14(12)19-7-9-20(10-8-19)15(21)13-11-17-5-6-18-13/h1-6,11H,7-10H2
InChIKeyMEAKNEYJJAHNAS-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 862120) is [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is MEAKNEYJJAHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-12-3-1-2-4-14(12)19-7-9-20(10-8-19)15(21)13-11-17-5-6-18-13/h1-6,11H,7-10H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 286.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 862120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).