Basic information
- Standard SMILES
CCOC(=O)N1CCN(Cc2ccc(F)c(C#N)c2)CC1- InChIKey
IWGHGVQWGQEVND-UHFFFAOYSA-N- Molecular formula
- C15H18FN3O2
- Average molar mass
- 291.32 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(3-cyano-4-fluorobenzyl)piperazine-1-carboxylate
- IUPAC
- ethyl 4-[(3-cyano-4-fluorophenyl)methyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL3731827IWGHGVQWGQEVND-UHFFFAOYSA-NDB-106339ethyl 4-(3-cyano-4-fluorobenzyl)piperazine-1-carboxylate943732-54-5
Database identifiers
- PubChem CID
- 68765124
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
Related reactions
4 records
Compound notes
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