Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
(4-Amino-3-fluorophenyl)-(3-propan-2-ylpiperazin-1-yl)methanone (HCID 66879604)|Huagongshe
Home
/
Compound
(4-Amino-3-fluorophenyl)-(3-propan-2-ylpiperazin-1-yl)methanone
HCID
66879604
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(C)C1CN(C(=O)c2ccc(N)c(F)c2)CCN1
InChIKey
BJZJHOZXHNGZKG-UHFFFAOYSA-N
Molecular formula
C14H20FN3O
Average molar mass
265.33 g/mol
Monoisotopic mass
265.15904043
Names & identifiers
Preferred name
(4-Amino-3-fluorophenyl)-(3-propan-2-ylpiperazin-1-yl)methanone
IUPAC
(4-amino-3-fluorophenyl)-(3-propan-2-ylpiperazin-1-yl)methanone
Names & synonyms
SCHEMBL1023096
Database identifiers
PubChem CID
66879604
Properties
Computed structural properties
XLogP
1.5
Topological polar surface area
58.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
324
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
107833
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
Loading…