Basic information
- Standard SMILES
O=[N+]([O-])C1CCCCC1N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1- InChIKey
TWUCWSYLVSDIBU-UHFFFAOYSA-N- Molecular formula
- C17H23Cl2N3O2
- Average molar mass
- 372.3 g/mol
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorobenzyl)-4-(2-nitrocyclohexyl)piperazine
- IUPAC
- 1-[(3,4-dichlorophenyl)methyl]-4-(2-nitrocyclohexyl)piperazine
Names & synonyms
SCHEMBL5744464TWUCWSYLVSDIBU-UHFFFAOYSA-N1-(3,4-dichlorobenzyl)-4-(2-nitrocyclohexyl)piperazine
Database identifiers
- PubChem CID
- 22257751
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Related reactions
12 records
Compound notes
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