Basic information
- Standard SMILES
CCOC(=O)C(C)(Cc1ccc(N2CCNCC2)cc1)C(=O)OCC- InChIKey
AEXOICUAXUTNFV-UHFFFAOYSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-(4-(piperazin-1-yl)benzyl)-2-methylmalonate
- IUPAC
- diethyl 2-methyl-2-[(4-piperazin-1-ylphenyl)methyl]propanedioate
Names & synonyms
SCHEMBL2370630AEXOICUAXUTNFV-UHFFFAOYSA-Ndiethyl 2-(4-(piperazin-1-yl)benzyl)-2-methylmalonate
Database identifiers
- PubChem CID
- 67382829
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 423
Related reactions
4 records
Compound notes
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