Basic information
- CAS
1049-99-6- Standard SMILES
COc1ccc(CCN2CCN(c3cccc(Cl)c3)CC2)cc1OC- InChIKey
RSXQCTKWWMNAOI-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O2
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.1604557
Names & identifiers
- Preferred name
- Piperazine, 1-(m-chlorophenyl)-4-(3,4-dimethoxyphenethyl)-
- IUPAC
- 1-(3-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
Names & synonyms
Piperazine, 1-(m-chlorophenyl)-4-(3,4-dimethoxyphenethyl)-1049-99-6DTXSID40146815RefChem:1095963DTXCID3069306BRN 06266971-(m-Chlorophenyl)-4-(3,4-dimethoxyphenethyl)piperazine1-(3-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazineSCHEMBL2110364NS00125125
Database identifiers
- CAS
1049-99-6- PubChem CID
- 71066
- DTXSID
DTXSID40146815- Nikkaji
- J117.751F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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