Basic information
- Standard SMILES
O=C(OCCc1cccc(C(F)(F)F)c1)N1CCN2CCCC[C@@H]2C1- InChIKey
HCUZINZVOQHOTL-MRXNPFEDSA-N- Molecular formula
- C18H23F3N2O2
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- (R)-Octahydropyrido[1,2-a]pyrazine-2-carboxylic Acid 2-(3-(trifluoromethyl)phenyl)ethyl Ester
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]ethyl (9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
Names & synonyms
(R)-Octahydropyrido[1,2-a]pyrazine-2-carboxylic Acid 2-(3-(trifluoromethyl)phenyl)ethyl EsterSCHEMBL5236370
Database identifiers
- PubChem CID
- 60009830
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Related reactions
2 records
Compound notes
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