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[2-(2-Amino-4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol

HCID 21997239
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

2 records
New reaction record
HRID 836003 reaction equation
HRID 836003As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1545887 reaction equation
HRID 1545887As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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