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

C15H28N2O — CID 79925986

IUPAC3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1C1CCOCC1
InChIInChI=1S/C15H28N2O/c1-2-13-11-16-8-4-3-5-15(16)12-17(13)14-6-9-18-10-7-14/h13-15H,2-12H2,1H3
InChIKeyQBTIZBHMVQCEIX-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.11
Rot. Bonds2

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

3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79925986) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79925986
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCC1CN2CCCCC2CN1C1CCOCC1
InChIInChI=1S/C15H28N2O/c1-2-13-11-16-8-4-3-5-15(16)12-17(13)14-6-9-18-10-7-14/h13-15H,2-12H2,1H3
InChIKeyQBTIZBHMVQCEIX-UHFFFAOYSA-N
XLogP2.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

3-ethyl-2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826069
3-ethyl-2-(1-propylpiperidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939774
2-(oxan-4-yl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926070
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923618
3-ethyl-2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923995
3-ethyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939389
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911
3-ethyl-2-(oxan-3-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824881
3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104576466
2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
CID 115824890
3-ethyl-2-octan-4-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106027236
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79925986) is 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCC1CN2CCCCC2CN1C1CCOCC1.
What is the InChIKey of 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is QBTIZBHMVQCEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-13-11-16-8-4-3-5-15(16)12-17(13)14-6-9-18-10-7-14/h13-15H,2-12H2,1H3.
What are the key properties of 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 252.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79925986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).