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Basic information
- Standard SMILES
CCOC(=O)[C@@H]1CNCC[C@H]1N(C)Cc1ccccc1.Cl.Cl- InChIKey
HTRNWQBDLUEVOQ-FXUMYAARSA-N- Molecular formula
- C16H26Cl2N2O2
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 348.1371335
Names & identifiers
- Preferred name
- trans-4-(Benzyl-methyl-amino)-piperidine-3-carboxylic Acid Ethyl Ester Dihydrochloride
- IUPAC
- ethyl (3R,4R)-4-[benzyl(methyl)amino]piperidine-3-carboxylate;dihydrochloride
Names & synonyms
SCHEMBL6304430HTRNWQBDLUEVOQ-FXUMYAARSA-Ntrans-4-(Benzyl-methyl-amino)-piperidine-3-carboxylic Acid Ethyl Ester Dihydrochloride
Database identifiers
- PubChem CID
- 69736404
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 303
Related reactions
2 records
Compound notes
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