1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine

C11H16FN3 — CID 61230129

IUPAC1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
SMILESCCN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C11H16FN3/c1-2-14-6-8-15(9-7-14)11-5-3-4-10(12)13-11/h3-5H,2,6-9H2,1H3
InChIKeyLQOYPVIRUWAKGZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.36
Rot. Bonds2

About 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine

1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine (PubChem CID 61230129) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
PubChem CID61230129
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
SMILESCCN1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C11H16FN3/c1-2-14-6-8-15(9-7-14)11-5-3-4-10(12)13-11/h3-5H,2,6-9H2,1H3
InChIKeyLQOYPVIRUWAKGZ-UHFFFAOYSA-N
XLogP1.36
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.36
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-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004
2-(4-ethylpiperidin-1-yl)-6-fluoropyridine
CID 61397764
2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
CID 170257240
2-fluoro-6-(4-propylpiperidin-1-yl)pyridine
CID 62205633
1-benzyl-4-(6-fluoro-2-pyridinyl)-1,4-diazepane
CID 130624204
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
3,6,9-triethyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CID 59119738
1-ethyl-4-[6-(4-fluorophenoxy)-2-pyridinyl]-1,4-diazepane
CID 91002810
3-[[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 110187474
1-[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55002941
1-[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986345

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine?
The IUPAC name of 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine (CID 61230129) is 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine?
The canonical SMILES for 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine is CCN1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine?
The InChIKey is LQOYPVIRUWAKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-2-14-6-8-15(9-7-14)11-5-3-4-10(12)13-11/h3-5H,2,6-9H2,1H3.
What are the key properties of 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine?
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine has a molecular weight of 209.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine is sourced from PubChem (CID 61230129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).