Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1CC=Cc1ccccc1- InChIKey
SIJOQVTWRHYDHW-QHCPKHFHSA-N- Molecular formula
- C25H32N2O2
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- (S)-4-Benzyl-2-(3-phenyl-allyl)-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (2S)-4-benzyl-2-(3-phenylprop-2-enyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL5557490SIJOQVTWRHYDHW-QHCPKHFHSA-N(S)-4-Benzyl-2-(3-phenyl-allyl)-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69486789
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 527
Related reactions
2 records
Compound notes
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