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

C11H14F3N3 — CID 106547733

IUPAC1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine
SMILESCCN1CCN(c2nc(F)c(F)cc2F)CC1
InChIInChI=1S/C11H14F3N3/c1-2-16-3-5-17(6-4-16)11-9(13)7-8(12)10(14)15-11/h7H,2-6H2,1H3
InChIKeyJQGHFPDOISKDLI-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.64
Rot. Bonds2

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

1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine (PubChem CID 106547733) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine
PubChem CID106547733
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine
SMILESCCN1CCN(c2nc(F)c(F)cc2F)CC1
InChIInChI=1S/C11H14F3N3/c1-2-16-3-5-17(6-4-16)11-9(13)7-8(12)10(14)15-11/h7H,2-6H2,1H3
InChIKeyJQGHFPDOISKDLI-UHFFFAOYSA-N
XLogP1.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.64
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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Related Compounds

2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol
CID 106547734
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 61177677
4-(4-ethylpiperazin-1-yl)-2-fluoro-6-methoxyaniline
CID 141305241
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
1-[4-(4-ethylpiperazin-1-yl)-3,5-difluorophenyl]ethanol
CID 118656623
2-(4-ethylpiperazin-1-yl)-4-fluoro-5-iodoaniline
CID 66101614
3,5-difluoro-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 114074421
[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928369
2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
CID 82022831
1-ethyl-4-(3-fluoro-4-isocyanatophenyl)piperazine
CID 169355749
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine (CID 106547733) is 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine is CCN1CCN(c2nc(F)c(F)cc2F)CC1.
What is the InChIKey of 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine?
The InChIKey is JQGHFPDOISKDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-2-16-3-5-17(6-4-16)11-9(13)7-8(12)10(14)15-11/h7H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine?
1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine has a molecular weight of 245.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 106547733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).