7-(Pyridin-3-ylmethoxy)octahydropyrrolo[1,2-a]pyrazine
Basic information
- CAS
1422057-80-4- Standard SMILES
c1cncc(COC2CC3CNCCN3C2)c1- InChIKey
RDRYQRIXBSDCNR-UHFFFAOYSA-N- Molecular formula
- C13H19N3O
- Average molar mass
- 233.31 g/mol
Names & identifiers
- Preferred name
- 7-(Pyridin-3-ylmethoxy)octahydropyrrolo[1,2-a]pyrazine
- IUPAC
- 7-(pyridin-3-ylmethoxy)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
- English name
- 7-(pyridin-3-ylmethoxy)octahydropyrrolo[1,2-a]pyrazine
- Molecular formula
- C13H19N3O
- Molecular weight
- 233.31
Names & synonyms
7-(Pyridin-3-ylmethoxy)octahydropyrrolo[1,2-a]pyrazine1422057-80-47-(pyridin-3-ylmethoxy)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazinePyrrolo[1,2-a]pyrazine, octahydro-7-(3-pyridinylmethoxy)-
Database identifiers
- CAS
1422057-80-4
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 378.1 · 378.1±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.40(Predicted)
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Compound notes
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