Basic information
- CAS
214045-87-1- Standard SMILES
Fc1ccc2c(N3CCNCC3)nccc2c1- InChIKey
IUXLPDFAKCBFFC-UHFFFAOYSA-N- Molecular formula
- C13H14FN3
- Average molar mass
- 231.27 g/mol
- Monoisotopic mass
- 231.11717562
Names & identifiers
- Preferred name
- 6-Fluoro-1-(1-piperazinyl)isoquinoline
- IUPAC
- 6-fluoro-1-piperazin-1-ylisoquinoline
Names & synonyms
214045-87-16-Fluoro-1-(1-piperazinyl)isoquinolineSCHEMBL7405998DTXSID7012818026-Fluoro-1-(piperazin-1-yl)isoquinoline
Database identifiers
- CAS
214045-87-1- PubChem CID
- 57001074
- DTXSID
DTXSID701281802
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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