1-(3,5-difluoro-4-pyridinyl)piperazine

C9H11F2N3 — CID 44668350

IUPAC1-(3,5-difluoro-4-pyridinyl)piperazine
SMILESFc1cncc(F)c1N1CCNCC1
InChIInChI=1S/C9H11F2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyRUVYNVPJFDXASX-UHFFFAOYSA-N
MW199.20 g/mol
LogP0.77
Rot. Bonds1

About 1-(3,5-difluoro-4-pyridinyl)piperazine

1-(3,5-difluoro-4-pyridinyl)piperazine (PubChem CID 44668350) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3,5-difluoro-4-pyridinyl)piperazine
PubChem CID44668350
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC Name1-(3,5-difluoro-4-pyridinyl)piperazine
SMILESFc1cncc(F)c1N1CCNCC1
InChIInChI=1S/C9H11F2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyRUVYNVPJFDXASX-UHFFFAOYSA-N
XLogP0.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-difluoro-4-pyridinyl)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-(3,5-difluoro-4-pyridinyl)piperazine?
The IUPAC name of 1-(3,5-difluoro-4-pyridinyl)piperazine (CID 44668350) is 1-(3,5-difluoro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-(3,5-difluoro-4-pyridinyl)piperazine?
The canonical SMILES for 1-(3,5-difluoro-4-pyridinyl)piperazine is Fc1cncc(F)c1N1CCNCC1.
What is the InChIKey of 1-(3,5-difluoro-4-pyridinyl)piperazine?
The InChIKey is RUVYNVPJFDXASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2.
What are the key properties of 1-(3,5-difluoro-4-pyridinyl)piperazine?
1-(3,5-difluoro-4-pyridinyl)piperazine has a molecular weight of 199.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-pyridinyl)piperazine is sourced from PubChem (CID 44668350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).