2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine

C16H31N3O — CID 115824890

IUPAC2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
SMILESCCC1CN2CCCCC2CN1CC1CN(C)CCO1
InChIInChI=1S/C16H31N3O/c1-3-14-10-18-7-5-4-6-15(18)11-19(14)13-16-12-17(2)8-9-20-16/h14-16H,3-13H2,1-2H3
InChIKeyLAJNBTLQZPMQJD-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.27
Rot. Bonds3

About 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine

2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine (PubChem CID 115824890) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
PubChem CID115824890
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine
SMILESCCC1CN2CCCCC2CN1CC1CN(C)CCO1
InChIInChI=1S/C16H31N3O/c1-3-14-10-18-7-5-4-6-15(18)11-19(14)13-16-12-17(2)8-9-20-16/h14-16H,3-13H2,1-2H3
InChIKeyLAJNBTLQZPMQJD-UHFFFAOYSA-N
XLogP1.27
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-ethyl-2-[2-(oxan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 104576466
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-(oxolan-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940149
[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol
CID 116637488
1-[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]propan-2-one
CID 79559959
1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carbaldehyde
CID 79182740
[(2R)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 112734122
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
[3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]piperidin-2-yl]methanamine
CID 82736712
3-ethyl-2-(oxan-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925986
3-ethyl-2-(2-prop-2-ynylsulfanylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 106432742
3-ethyl-2-[2-(furan-2-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926089

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine (CID 115824890) is 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine is CCC1CN2CCCCC2CN1CC1CN(C)CCO1.
What is the InChIKey of 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine?
The InChIKey is LAJNBTLQZPMQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-14-10-18-7-5-4-6-15(18)11-19(14)13-16-12-17(2)8-9-20-16/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine?
2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine has a molecular weight of 281.44 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-4-methylmorpholine is sourced from PubChem (CID 115824890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).