Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(2,3-xylyl)-
Basic information
- CAS
1052-00-2- Standard SMILES
COc1ccc(CCN2CCN(c3cccc(C)c3C)CC2)cc1OC- InChIKey
DKUABKXQTAYDHX-UHFFFAOYSA-N- Molecular formula
- C22H30N2O2
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.2307282
Names & identifiers
- Preferred name
- Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(2,3-xylyl)-
- IUPAC
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine
Names & synonyms
1052-00-2Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(2,3-xylyl)-BRN 06273661-(3,4-Dimethoxyphenethyl)-4-(2,3-xylyl)piperazine1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazineDTXSID60146998
Database identifiers
- CAS
1052-00-2- PubChem CID
- 120974
- DTXSID
DTXSID60146998- Nikkaji
- J117.800H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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