Basic information
- Standard SMILES
Clc1ccc(CCC2CN(Cc3ccccc3)CCN2Cc2ccccc2)cc1- InChIKey
XJIGDAHICIEYRN-UHFFFAOYSA-N- Molecular formula
- C26H29ClN2
- Average molar mass
- 405 g/mol
- Monoisotopic mass
- 404.2019266
Names & identifiers
- Preferred name
- 1,4-Dibenzyl-2-[2-(4-chlorophenyl)ethyl]piperazine
- IUPAC
- 1,4-dibenzyl-2-[2-(4-chlorophenyl)ethyl]piperazine
Names & synonyms
SCHEMBL5558033
Database identifiers
- PubChem CID
- 21093616
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 450
Related reactions
1 records
Compound notes
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