Basic information
- Standard SMILES
Brc1ccc(CN2CCNC(Cc3ccccc3)C2)cc1- InChIKey
XQGNEFNJEVBSQC-UHFFFAOYSA-N- Molecular formula
- C18H21BrN2
- Average molar mass
- 345.3 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-1-[(4-bromophenyl)methyl]piperazine
- IUPAC
- 3-benzyl-1-[(4-bromophenyl)methyl]piperazine
Names & synonyms
SCHEMBL4468839AKOS014162362
Database identifiers
- PubChem CID
- 64833302
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 296
Related reactions
5 records
Compound notes
Loading…