Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate
Basic information
- CAS
40616-92-0- Standard SMILES
ClC1CCCN(Cc2ccccc2Br)C1.O=C(O)C(=O)O- InChIKey
PFUMCCLZOCJVDA-UHFFFAOYSA-N- Molecular formula
- C14H17BrClNO4
- Average molar mass
- 378.64 g/mol
- Monoisotopic mass
- 377.00295
Names & identifiers
- Preferred name
- Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate
- IUPAC
- 1-[(2-bromophenyl)methyl]-3-chloropiperidine;oxalic acid
Names & synonyms
1-(o-Bromobenzyl)-3-chloropiperidine oxalateN-(2-Bromobenzyl)-3-chloropiperidine oxalate40616-92-0Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalateRefChem:373155DTXSID40961025Oxalic acid--1-[(2-bromophenyl)methyl]-3-chloropiperidine (1/1)
Database identifiers
- CAS
40616-92-0- PubChem CID
- 218449
- DTXSID
DTXSID40961025
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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