Basic information
- Standard SMILES
COc1ccc(CNc2nccc3c(NC4CCN(C(=O)OC(C)(C)C)CC4)cccc23)cc1- InChIKey
HAGTYQGIWGJFPJ-UHFFFAOYSA-N- Molecular formula
- C27H34N4O3
- Average molar mass
- 462.6 g/mol
Names & identifiers
- Preferred name
- 4-[1-(4-Methoxybenzyl)amino-5-isoquinolyl]amino-1-(tert-butoxycarbonyl)piperidine
- IUPAC
- tert-butyl 4-[[1-[(4-methoxyphenyl)methylamino]isoquinolin-5-yl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5662852HAGTYQGIWGJFPJ-UHFFFAOYSA-N4-[1-(4-methoxybenzyl)amino-5-isoquinolyl]amino-1-(tert-butoxycarbonyl)piperidine
Database identifiers
- PubChem CID
- 21979935
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 638
Related reactions
4 records
Compound notes
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