Basic information
- Standard SMILES
Cl.Clc1ccc(N2CC3CCC(C2)N3)cc1- InChIKey
PUOWECOKNNMGEO-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2
- Average molar mass
- 259.17 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-3,8-diazabicyclo[3.2.1]octane hydrochloride
- IUPAC
- 3-(4-chlorophenyl)-3,8-diazabicyclo[3.2.1]octane;hydrochloride
Names & synonyms
SCHEMBL6214406PUOWECOKNNMGEO-UHFFFAOYSA-N3-(4-chlorophenyl)-3,8-diazabicyclo[3.2.1]octane hydrochloride3-(4-chloro-phenyl)-3,8-diaza-bicyclo[3.2.1] octane hydrochloride salt
Database identifiers
- PubChem CID
- 18545189
Properties
Computed structural properties
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Related reactions
2 records
Compound notes
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