2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C17H24F2N2 — CID 82802656

IUPAC2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1c1c(F)ccc(C)c1F
InChIInChI=1S/C17H24F2N2/c1-3-13-10-20-9-5-4-6-14(20)11-21(13)17-15(18)8-7-12(2)16(17)19/h7-8,13-14H,3-6,9-11H2,1-2H3
InChIKeyZQIDQZXMWQCERP-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.73
Rot. Bonds2

About 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 82802656) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID82802656
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1c1c(F)ccc(C)c1F
InChIInChI=1S/C17H24F2N2/c1-3-13-10-20-9-5-4-6-14(20)11-21(13)17-15(18)8-7-12(2)16(17)19/h7-8,13-14H,3-6,9-11H2,1-2H3
InChIKeyZQIDQZXMWQCERP-UHFFFAOYSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 82802656) is 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CN2CCCCC2CN1c1c(F)ccc(C)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is ZQIDQZXMWQCERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-3-13-10-20-9-5-4-6-14(20)11-21(13)17-15(18)8-7-12(2)16(17)19/h7-8,13-14H,3-6,9-11H2,1-2H3.
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 294.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)-3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 82802656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).