phenylmethyl (2S)-4-[(3-bromophenyl)methyl]-2-methyl-1-piperazinecarboxylate
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Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(Br)c2)CCN1C(=O)OCc1ccccc1- InChIKey
FPSXXNCUWVOVQJ-INIZCTEOSA-N- Molecular formula
- C20H23BrN2O2
- Average molar mass
- 403.3 g/mol
Names & identifiers
- Preferred name
- phenylmethyl (2S)-4-[(3-bromophenyl)methyl]-2-methyl-1-piperazinecarboxylate
- IUPAC
- benzyl (2S)-4-[(3-bromophenyl)methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1633894FPSXXNCUWVOVQJ-INIZCTEOSA-Nphenylmethyl (2S)-4-[(3-bromophenyl)methyl]-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57730436
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 428
Related reactions
2 records
Compound notes
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