Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-(methylthio)phenyl)-
Basic information
- CAS
1051-73-6- Standard SMILES
COc1ccc(CCN2CCN(c3ccccc3SC)CC2)cc1OC- InChIKey
ZAYFNMYDNWEICN-UHFFFAOYSA-N- Molecular formula
- C21H28N2O2S
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.18714931
Names & identifiers
- Preferred name
- Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-(methylthio)phenyl)-
- IUPAC
- 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-methylsulfanylphenyl)piperazine
Names & synonyms
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-(methylthio)phenyl)-1051-73-61-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-(methylsulfanyl)phenyl]piperazineBRN 06283381-(3,4-Dimethoxyphenethyl)-4-(o-(methylthio)phenyl)piperazineDTXSID90146946
Database identifiers
- CAS
1051-73-6- PubChem CID
- 120972
- DTXSID
DTXSID90146946- Nikkaji
- J117.793A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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