1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine

C9H9F4N3 — CID 22277803

IUPAC1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
SMILESFc1nc(F)c(F)c(N2CCNCC2)c1F
InChIInChI=1S/C9H9F4N3/c10-5-7(16-3-1-14-2-4-16)6(11)9(13)15-8(5)12/h14H,1-4H2
InChIKeyQCKDBJQSKIOGOY-UHFFFAOYSA-N
MW235.18 g/mol
LogP1.05
Rot. Bonds1

About 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine

1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine (PubChem CID 22277803) has the molecular formula C9H9F4N3 and a molecular weight of 235.18 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
PubChem CID22277803
Molecular FormulaC9H9F4N3
Molecular Weight235.18 g/mol
Exact Mass235.07
IUPAC Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
SMILESFc1nc(F)c(F)c(N2CCNCC2)c1F
InChIInChI=1S/C9H9F4N3/c10-5-7(16-3-1-14-2-4-16)6(11)9(13)15-8(5)12/h14H,1-4H2
InChIKeyQCKDBJQSKIOGOY-UHFFFAOYSA-N
XLogP1.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 51.05
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-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine (CID 22277803) is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine is Fc1nc(F)c(F)c(N2CCNCC2)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The InChIKey is QCKDBJQSKIOGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N3/c10-5-7(16-3-1-14-2-4-16)6(11)9(13)15-8(5)12/h14H,1-4H2.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine has a molecular weight of 235.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine is sourced from PubChem (CID 22277803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).