1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-(2-phenoxyethyl)piperazine
Basic information
- CAS
918482-19-6- Standard SMILES
COc1cc(CN2CCN(CCOc3ccccc3)CC2)c([N+](=O)[O-])cc1OC- InChIKey
WILSAZCYBCQENW-UHFFFAOYSA-N- Molecular formula
- C21H27N3O5
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.19507097
Names & identifiers
- Preferred name
- 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-(2-phenoxyethyl)piperazine
- IUPAC
- 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-phenoxyethyl)piperazine
Names & synonyms
918482-19-61-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-(2-phenoxyethyl)piperazineDTXSID20731708
Database identifiers
- CAS
918482-19-6- PubChem CID
- 59382004
- DTXSID
DTXSID20731708
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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