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Compound
[2-(2-Amino-4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
HCID
21997239
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Properties
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Basic information
Standard SMILES
Nc1cc(F)ccc1N1CCN2CC(CO)CCC2C1
InChIKey
WPPBSIUBZKXRRI-UHFFFAOYSA-N
Molecular formula
C15H22FN3O
Average molar mass
279.35 g/mol
Names & identifiers
Preferred name
[2-(2-Amino-4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
IUPAC
[2-(2-amino-4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
Database identifiers
PubChem CID
21997239
Properties
Computed structural properties
XLogP
1.4
Topological polar surface area
52.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Formal charge
0
Complexity
330
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
836003
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1545887
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Compound notes
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