Piperidine, 1-propyl-3-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:1)
Basic information
- CAS
70424-93-0- Standard SMILES
CCCN1CCCC(c2cccc(C(F)(F)F)c2)C1.O=C(O)C(=O)O- InChIKey
BIDDYVAFUFGUDW-UHFFFAOYSA-N- Molecular formula
- C17H22F3NO4
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.15009267
Names & identifiers
- Preferred name
- Piperidine, 1-propyl-3-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:1)
- IUPAC
- oxalic acid;1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine
Names & synonyms
N-Propyl-3-(m-trifluoromethylphenyl)piperidine oxalate1-Propyl-3-(3-(trifluoromethyl)phenyl)piperidine ethanedioate (1:1)70424-93-0Piperidine, 1-propyl-3-(3-(trifluoromethyl)phenyl)-, ethanedioate (1:1)RefChem:373209SCHEMBL11408676DTXSID20990636BIDDYVAFUFGUDW-UHFFFAOYSA-NOxalic acid--1-propyl-3-[3-(trifluoromethyl)phenyl]piperidine (1/1)
Database identifiers
- CAS
70424-93-0- PubChem CID
- 3053802
- DTXSID
DTXSID20990636
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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