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

C10H11F4N3 — CID 23441906

IUPAC1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
SMILESCN1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C10H11F4N3/c1-16-2-4-17(5-3-16)8-6(11)9(13)15-10(14)7(8)12/h2-5H2,1H3
InChIKeyZIMFHRBBMKIZJJ-UHFFFAOYSA-N
MW249.21 g/mol
LogP1.39
Rot. Bonds1

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

1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine (PubChem CID 23441906) has the molecular formula C10H11F4N3 and a molecular weight of 249.21 g/mol. Its IUPAC name is 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
PubChem CID23441906
Molecular FormulaC10H11F4N3
Molecular Weight249.21 g/mol
Exact Mass249.09
IUPAC Name1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
SMILESCN1CCN(c2c(F)c(F)nc(F)c2F)CC1
InChIInChI=1S/C10H11F4N3/c1-16-2-4-17(5-3-16)8-6(11)9(13)15-10(14)7(8)12/h2-5H2,1H3
InChIKeyZIMFHRBBMKIZJJ-UHFFFAOYSA-N
XLogP1.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
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-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine (CID 23441906) is 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine is CN1CCN(c2c(F)c(F)nc(F)c2F)CC1.
What is the InChIKey of 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The InChIKey is ZIMFHRBBMKIZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3/c1-16-2-4-17(5-3-16)8-6(11)9(13)15-10(14)7(8)12/h2-5H2,1H3.
What are the key properties of 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine has a molecular weight of 249.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine is sourced from PubChem (CID 23441906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).