1-(6-fluoro-2-pyridinyl)piperazine

C9H12FN3 — CID 3728818

IUPAC1-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H12FN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKeyVOARECGTDYSHHS-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.63
Rot. Bonds1

About 1-(6-fluoro-2-pyridinyl)piperazine

1-(6-fluoro-2-pyridinyl)piperazine (PubChem CID 3728818) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(6-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(6-fluoro-2-pyridinyl)piperazine
PubChem CID3728818
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name1-(6-fluoro-2-pyridinyl)piperazine
SMILESFc1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H12FN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2
InChIKeyVOARECGTDYSHHS-UHFFFAOYSA-N
XLogP0.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-(6-fluoro-2-pyridinyl)piperazine (CID 3728818) is 1-(6-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(6-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-(6-fluoro-2-pyridinyl)piperazine is Fc1cccc(N2CCNCC2)n1.
What is the InChIKey of 1-(6-fluoro-2-pyridinyl)piperazine?
The InChIKey is VOARECGTDYSHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-2-1-3-9(12-8)13-6-4-11-5-7-13/h1-3,11H,4-7H2.
What are the key properties of 1-(6-fluoro-2-pyridinyl)piperazine?
1-(6-fluoro-2-pyridinyl)piperazine has a molecular weight of 181.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 3728818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).