1-[(4-Chlorophenyl)(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
Basic information
- CAS
5136-25-4- Standard SMILES
O=C(O)C1CCCCN1C(c1ccc(Cl)cc1)c1ccc(F)cc1F- InChIKey
HMKOONITIBPYFT-UHFFFAOYSA-N- Molecular formula
- C19H18ClF2NO2
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0994128
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
- IUPAC
- 1-[(4-chlorophenyl)-(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
Names & synonyms
5136-25-4DTXSID509656301-[(4-Chlorophenyl)(2,4-difluorophenyl)methyl]piperidine-2-carboxylic acid
Database identifiers
- CAS
5136-25-4- PubChem CID
- 5223983
- DTXSID
DTXSID50965630
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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