Basic information
- Standard SMILES
OCC1CCC2CN(c3noc4ccccc34)CCN2C1- InChIKey
XVDVTIJHSFDVIE-UHFFFAOYSA-N- Molecular formula
- C16H21N3O2
- Average molar mass
- 287.36 g/mol
- Monoisotopic mass
- 287.16337692
Names & identifiers
- Preferred name
- Racemic (7S*,9aS*)-2-(Benzo[d]isoxazol-3-yl)perhydro-7-(hydroxymethyl)-1H-pyrido[1,2-a]pyrazine
- IUPAC
- [2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
Names & synonyms
SCHEMBL6311099XVDVTIJHSFDVIE-UHFFFAOYSA-NRacemic (7R*,9aS*)-2 -(Benzo[d]isoxazol-3-yl)-perhydro-7-(hydroxymethyl)-1H-pyrido[1,2-a]pyrazineRacemic (7R*,9aS*)-2-(Benzo[ d]isoxazol-3-yl)perhydro-7-(hydroxymethyl)-1H-pyrido[1,2-a]pyrazineRacemic (7R*,9aS*)-2-(Benzo[d]isoxazol-3-yl)-perhydro-7-(hydroxymethyl)-1H-pyrido[1,2-a]pyrazineRacemic (7S*,9aS*)-2-(Benzo[d]isoxazol-3-yl)perhydro-7-(hydroxymethyl)-1H-pyrido[1,2-a]pyrazine
Database identifiers
- PubChem CID
- 22491366
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
10 records
Compound notes
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