Basic information
- Standard SMILES
C(=Cc1ccccc1)CC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1- InChIKey
URNIGQNXDKJORB-NDEPHWFRSA-N- Molecular formula
- C28H32N2
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.25654903
Names & identifiers
- Preferred name
- (S)-1,4-Dibenzyl-2-(4-phenyl-but-3-enyl)-piperazine
- IUPAC
- (2S)-1,4-dibenzyl-2-(4-phenylbut-3-enyl)piperazine
Names & synonyms
SCHEMBL5559088URNIGQNXDKJORB-NDEPHWFRSA-N(S)-1,4-Dibenzyl-2-(4-phenyl-but-3-enyl)-piperazine
Database identifiers
- PubChem CID
- 69487542
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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