Basic information
- CAS
78069-77-9- Standard SMILES
Nc1cnccc1N1CCN(c2ccccc2F)CC1- InChIKey
USUIHMYULNQRMI-UHFFFAOYSA-N- Molecular formula
- C15H17FN4
- Average molar mass
- 272.32 g/mol
- Monoisotopic mass
- 272.14372472
Names & identifiers
- Preferred name
- Piperazine, 1-(3-amino-4-pyridyl)-4-(o-fluorophenyl)-
- IUPAC
- 4-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amine
Names & synonyms
BRN 452382278069-77-9NSC 1313993-Pyridinamine, 4-(4-(2-fluorophenyl)-1-piperazinyl)-Piperazine, 1-(3-amino-4-pyridyl)-4-(o-fluorophenyl)-RefChem:3722504-[4-(2-fluorophenyl)piperazin-1-yl]pyridin-3-amineNSC131399DTXSID60999305NSC-131399
Database identifiers
- CAS
78069-77-9- PubChem CID
- 97546
- DTXSID
DTXSID60999305
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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