2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine

C11H16FN3 — CID 174276449

IUPAC2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine
SMILESCCC1CCN(c2nccnc2F)CC1
InChIInChI=1S/C11H16FN3/c1-2-9-3-7-15(8-4-9)11-10(12)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyFHEFXLHBRQLCKR-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.24
Rot. Bonds2

About 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine

2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine (PubChem CID 174276449) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine
PubChem CID174276449
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC Name2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine
SMILESCCC1CCN(c2nccnc2F)CC1
InChIInChI=1S/C11H16FN3/c1-2-9-3-7-15(8-4-9)11-10(12)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3
InChIKeyFHEFXLHBRQLCKR-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine (CID 174276449) is 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine is CCC1CCN(c2nccnc2F)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine?
The InChIKey is FHEFXLHBRQLCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-2-9-3-7-15(8-4-9)11-10(12)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine?
2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine has a molecular weight of 209.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-3-fluoropyrazine is sourced from PubChem (CID 174276449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).