1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one

C12H14F2N2O — CID 19599740

IUPAC1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O/c13-10-2-1-9(7-11(10)14)3-5-16-6-4-15-8-12(16)17/h1-2,7,15H,3-6,8H2
InChIKeyJSDSLUSSGBMXFK-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.94
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one

1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one (PubChem CID 19599740) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one
PubChem CID19599740
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O/c13-10-2-1-9(7-11(10)14)3-5-16-6-4-15-8-12(16)17/h1-2,7,15H,3-6,8H2
InChIKeyJSDSLUSSGBMXFK-UHFFFAOYSA-N
XLogP0.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one (CID 19599740) is 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one is O=C1CNCCN1CCc1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one?
The InChIKey is JSDSLUSSGBMXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-10-2-1-9(7-11(10)14)3-5-16-6-4-15-8-12(16)17/h1-2,7,15H,3-6,8H2.
What are the key properties of 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one?
1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one has a molecular weight of 240.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)ethyl]piperazin-2-one is sourced from PubChem (CID 19599740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).