Basic information
- Standard SMILES
C[C@H]1CN(Cc2cccc(-c3ccc(F)c(CN)c3)c2)CCN1C(=O)OC(C)(C)C- InChIKey
PGQDJURYHWUQCA-KRWDZBQOSA-N- Molecular formula
- C24H32FN3O2
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl (2S)-4-{[3'-(aminomethyl)-4'-fluoro-3-biphenylyl]methyl}-2-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (2S)-4-[[3-[3-(aminomethyl)-4-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL1632730PGQDJURYHWUQCA-KRWDZBQOSA-N1,1-Dimethylethyl (2S)-4-{[3'-(aminomethyl)-4'-fluoro-3-biphenylyl]methyl}-2-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 57736715
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
3 records
Compound notes
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