3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine

C12H22FN3 — CID 166586182

IUPAC3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
SMILESFC1CCC(C2CNC3CNCCN32)CC1
InChIInChI=1S/C12H22FN3/c13-10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12/h9-12,14-15H,1-8H2
InChIKeySTBPRZRPRZSQPO-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.72
Rot. Bonds1

About 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine

3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine (PubChem CID 166586182) has the molecular formula C12H22FN3 and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
PubChem CID166586182
Molecular FormulaC12H22FN3
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine
SMILESFC1CCC(C2CNC3CNCCN32)CC1
InChIInChI=1S/C12H22FN3/c13-10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12/h9-12,14-15H,1-8H2
InChIKeySTBPRZRPRZSQPO-UHFFFAOYSA-N
XLogP0.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine (CID 166586182) is 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine is FC1CCC(C2CNC3CNCCN32)CC1.
What is the InChIKey of 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
The InChIKey is STBPRZRPRZSQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3/c13-10-3-1-9(2-4-10)11-7-15-12-8-14-5-6-16(11)12/h9-12,14-15H,1-8H2.
What are the key properties of 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine?
3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine has a molecular weight of 227.33 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohexyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 166586182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).