Basic information
- CAS
1054316-89-0- Standard SMILES
CCN1CCC(Nc2ccc(N)cc2F)CC1- InChIKey
HTKFPAVDERAOTK-UHFFFAOYSA-N- Molecular formula
- C13H20FN3
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.16412581
Names & identifiers
- Preferred name
- N1-(1-Ethyl-4-piperidinyl)-2-fluoro-1,4-benzenediamine
- IUPAC
- 1-N-(1-ethylpiperidin-4-yl)-2-fluorobenzene-1,4-diamine
Names & synonyms
DTXSID701207638N~1~-(1-Ethylpiperidin-4-yl)-2-fluorobenzene-1,4-diamineN1-(1-Ethyl-4-piperidinyl)-2-fluoro-1,4-benzenediamine1054316-89-0
Database identifiers
- CAS
1054316-89-0- PubChem CID
- 165355437
- DTXSID
DTXSID701207638
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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