Basic information
- Standard SMILES
FC(F)(F)c1ccc(O[C@@H]2C[C@H]3CN(Cc4ccccc4)CCN3C2)cn1- InChIKey
GEUPDMJKQQENPG-FUHWJXTLSA-N- Molecular formula
- C20H22F3N3O
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.17149682
Names & identifiers
- Preferred name
- (7R,8aS)-2-benzyl-7-{[6-(trifluoromethyl)pyridin-3-yl]oxy}octahydropyrrolo[1,2-a]pyrazine
- IUPAC
- (7R,8aS)-2-benzyl-7-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
Names & synonyms
(7R,8aS)-2-benzyl-7-{[6-(trifluoromethyl)pyridin-3-yl]oxy}octahydropyrrolo[1,2-a]pyrazineSCHEMBL14815625(7R,8aS)-2-benzyl-7-{[6-(trifluoromethyl)pyridin-3-yl]oxy}octahydro-pyrrolo[1,2-a]pyrazine
Database identifiers
- PubChem CID
- 86680452
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 484
Related reactions
1 records
Compound notes
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