Phenol, o-(4-(3,4-dimethoxyphenethyl)-1-piperazinyl)-
Basic information
- CAS
1049-81-6- Standard SMILES
COc1ccc(CCN2CCN(c3ccccc3O)CC2)cc1OC- InChIKey
COUBFHDRVMCGBX-UHFFFAOYSA-N- Molecular formula
- C20H26N2O3
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.1943427
Names & identifiers
- Preferred name
- Phenol, o-(4-(3,4-dimethoxyphenethyl)-1-piperazinyl)-
- IUPAC
- 2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]phenol
Names & synonyms
BRN 0627900Phenol, o-(4-(3,4-dimethoxyphenethyl)-1-piperazinyl)-o-(4-(3,4-Dimethoxyphenethyl)-1-piperazinyl)phenol1049-81-6DTXSID801468145-23-02-00162 (Beilstein Handbook Reference)RefChem:369393DTXCID80693052-{4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl}phenol
Database identifiers
- CAS
1049-81-6- PubChem CID
- 120967
- DTXSID
DTXSID80146814- Nikkaji
- J79.314K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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