Basic information
- Standard SMILES
CN1CCN(CCOC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
KHPQUKUAJLYIAO-UHFFFAOYSA-N- Molecular formula
- C14H19N3O5
- Average molar mass
- 309.32 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methylpiperazin-1-yl)ethyl 4-nitrophenyl carbonate
- IUPAC
- 2-(4-methylpiperazin-1-yl)ethyl (4-nitrophenyl) carbonate
Names & synonyms
SCHEMBL314573KHPQUKUAJLYIAO-UHFFFAOYSA-NDB-0895502-(4-methylpiperazin-1-yl)ethyl 4-nitrophenyl carbonate1159928-40-1
Database identifiers
- PubChem CID
- 57445007
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
17 records
Compound notes
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