Basic information
- Standard SMILES
COC(=O)C1CNCCN1c1ccc(Cl)cc1- InChIKey
HQVHKRDDSGIICQ-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O2
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.0822054
Names & identifiers
- Preferred name
- 1-(4-Chloro-phenyl)-piperazine-2-carboxylic acid methyl ester
- IUPAC
- methyl 1-(4-chlorophenyl)piperazine-2-carboxylate
Names & synonyms
SCHEMBL653537HQVHKRDDSGIICQ-UHFFFAOYSA-N1-(4-chloro-phenyl)-piperazine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66758131
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
11 records
Compound notes
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