Basic information
- Standard SMILES
COc1ccc(CCOC(=O)N2CCN3CCCC[C@H]3C2)cc1- InChIKey
KBBNPAUSMQBEMA-INIZCTEOSA-N- Molecular formula
- C18H26N2O3
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- (S)-octahydropyrido[1,2-a]pyrazine-2-carboxylic acid 2-(4-methoxyphenyl)ethyl ester
- IUPAC
- 2-(4-methoxyphenyl)ethyl (9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
Names & synonyms
SCHEMBL5229580KBBNPAUSMQBEMA-INIZCTEOSA-N(S)-octahydropyrido[1,2-a]pyrazine-2-carboxylic acid 2-(4-methoxyphenyl)ethyl ester
Database identifiers
- PubChem CID
- 60009829
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
Loading…