1-(4-Chloro-3-methoxyphenyl)piperazine
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Basic information
- CAS
637022-44-7- Standard SMILES
COc1cc(N2CCNCC2)ccc1Cl- InChIKey
YMAVACUOLRGMRE-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0872908
Names & identifiers
- Preferred name
- 1-(4-Chloro-3-methoxyphenyl)piperazine
- IUPAC
- 1-(4-chloro-3-methoxyphenyl)piperazine
- English name
- 1-(4-chloro-3-Methoxyphenyl)piperazine
- Molecular formula
- C11H15ClN2O
- Molecular weight
- 226.7
Names & synonyms
1-(4-CHLORO-3-METHOXYPHENYL)PIPERAZINE637022-44-71-(4-chloro-3-methoxy-phenyl)-piperazineSCHEMBL1639487DTXSID00610486YMAVACUOLRGMRE-UHFFFAOYSA-NGS1645AKOS0175483201-(4-chloro-3-methoxyphenyl) piperazine1-(4-chloro-3-methoxyphenyl)-piperazineDB-146570EN300-1967452
Show more names
Piperazine, 1-(4-chloro-3-methoxyphenyl)-1-(4-CHLORO-3-METHOXYPHENYL)PIPERAZINE(WXG03085)
Database identifiers
- CAS
637022-44-7- PubChem CID
- 21071024
- DTXSID
DTXSID00610486
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 375.8 · 375.8±42.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 8.83 · 8.83±0.10(Predicted)
Related reactions
11 records
Compound notes
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