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

C14H26N2O — CID 114095516

IUPAC2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1OCCC1(C)N1CCN2CCCCC2C1
InChIInChI=1S/C14H26N2O/c1-12-14(2,6-10-17-12)16-9-8-15-7-4-3-5-13(15)11-16/h12-13H,3-11H2,1-2H3
InChIKeySHIIUQMOLCOGDD-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.72
Rot. Bonds1

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

2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 114095516) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID114095516
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC1OCCC1(C)N1CCN2CCCCC2C1
InChIInChI=1S/C14H26N2O/c1-12-14(2,6-10-17-12)16-9-8-15-7-4-3-5-13(15)11-16/h12-13H,3-11H2,1-2H3
InChIKeySHIIUQMOLCOGDD-UHFFFAOYSA-N
XLogP1.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 114095516) is 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC1OCCC1(C)N1CCN2CCCCC2C1.
What is the InChIKey of 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is SHIIUQMOLCOGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-14(2,6-10-17-12)16-9-8-15-7-4-3-5-13(15)11-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 238.37 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyloxolan-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 114095516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).