1-[1,3-Benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperazine
Basic information
- CAS
5000-03-3- Standard SMILES
CCOc1ccccc1C(c1ccc2c(c1)OCO2)N1CCNCC1- InChIKey
GIRPFCICHJYWJT-UHFFFAOYSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Names & identifiers
- Preferred name
- 1-[1,3-Benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperazine
- IUPAC
- 1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperazine
Names & synonyms
5000-03-3AC1NQIDHDTXSID204111391-[(2H-1,3-Benzodioxol-5-yl)(2-ethoxyphenyl)methyl]piperazine
Database identifiers
- CAS
5000-03-3- PubChem CID
- 5222301
- DTXSID
DTXSID20411139
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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