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

C12H16F2N2 — CID 11586631

IUPAC1-[2-(3,4-difluorophenyl)ethyl]piperazine
SMILESFc1ccc(CCN2CCNCC2)cc1F
InChIInChI=1S/C12H16F2N2/c13-11-2-1-10(9-12(11)14)3-6-16-7-4-15-5-8-16/h1-2,9,15H,3-8H2
InChIKeyDUYKKJIQVQCWLS-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.41
Rot. Bonds3

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

1-[2-(3,4-difluorophenyl)ethyl]piperazine (PubChem CID 11586631) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)ethyl]piperazine
PubChem CID11586631
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-[2-(3,4-difluorophenyl)ethyl]piperazine
SMILESFc1ccc(CCN2CCNCC2)cc1F
InChIInChI=1S/C12H16F2N2/c13-11-2-1-10(9-12(11)14)3-6-16-7-4-15-5-8-16/h1-2,9,15H,3-8H2
InChIKeyDUYKKJIQVQCWLS-UHFFFAOYSA-N
XLogP1.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,4-difluorophenyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3,4-difluorophenyl)ethyl]piperazine (CID 11586631) is 1-[2-(3,4-difluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)ethyl]piperazine is Fc1ccc(CCN2CCNCC2)cc1F.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)ethyl]piperazine?
The InChIKey is DUYKKJIQVQCWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-11-2-1-10(9-12(11)14)3-6-16-7-4-15-5-8-16/h1-2,9,15H,3-8H2.
What are the key properties of 1-[2-(3,4-difluorophenyl)ethyl]piperazine?
1-[2-(3,4-difluorophenyl)ethyl]piperazine has a molecular weight of 226.27 g/mol, XLogP of 1.41, 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]piperazine is sourced from PubChem (CID 11586631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).