2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine

C11H15F2N3 — CID 59351446

IUPAC2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine
SMILESFCCN1CCC(c2nccnc2F)CC1
InChIInChI=1S/C11H15F2N3/c12-3-8-16-6-1-9(2-7-16)10-11(13)15-5-4-14-10/h4-5,9H,1-3,6-8H2
InChIKeyMIBAZOPYQCXZIB-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.76
Rot. Bonds3

About 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine

2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine (PubChem CID 59351446) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine
PubChem CID59351446
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine
SMILESFCCN1CCC(c2nccnc2F)CC1
InChIInChI=1S/C11H15F2N3/c12-3-8-16-6-1-9(2-7-16)10-11(13)15-5-4-14-10/h4-5,9H,1-3,6-8H2
InChIKeyMIBAZOPYQCXZIB-UHFFFAOYSA-N
XLogP1.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine?
The IUPAC name of 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine (CID 59351446) is 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine.
What is the SMILES notation for 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine?
The canonical SMILES for 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine is FCCN1CCC(c2nccnc2F)CC1.
What is the InChIKey of 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine?
The InChIKey is MIBAZOPYQCXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c12-3-8-16-6-1-9(2-7-16)10-11(13)15-5-4-14-10/h4-5,9H,1-3,6-8H2.
What are the key properties of 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine?
2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine has a molecular weight of 227.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazine is sourced from PubChem (CID 59351446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).