Basic information
- Standard SMILES
COC(=O)C1CCNC(c2ccc(F)c(F)c2)C1.Cl- InChIKey
UVAJKJBUAOSINT-UHFFFAOYSA-N- Molecular formula
- C13H16ClF2NO2
- Average molar mass
- 291.72 g/mol
- Monoisotopic mass
- 291.0837628
Names & identifiers
- Preferred name
- Methyl 2-(3,4-difluorophenyl)piperidine-4-carboxylate hydrochloride
- IUPAC
- methyl 2-(3,4-difluorophenyl)piperidine-4-carboxylate;hydrochloride
Names & synonyms
SCHEMBL581553UVAJKJBUAOSINT-UHFFFAOYSA-Nmethyl 2-(3,4-difluorophenyl)piperidine-4-carboxylate hydrochloride
Database identifiers
- PubChem CID
- 66732136
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Related reactions
2 records
Compound notes
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