Basic information
- Standard SMILES
COc1cncc2cccc(NC3CCN(C(=O)OC(C)(C)C)CC3)c12- InChIKey
WZMYBAPORJMQPL-UHFFFAOYSA-N- Molecular formula
- C20H27N3O3
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 4-(4-Methoxy-5-isoquinolyl)amino-1-(tert-butoxycarbonyl)piperidine
- IUPAC
- tert-butyl 4-[(4-methoxyisoquinolin-5-yl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5665555WZMYBAPORJMQPL-UHFFFAOYSA-N4-(4-methoxy-5-isoquinolyl)amino-1-(tert-butoxycarbonyl)piperidine
Database identifiers
- PubChem CID
- 21979974
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
4 records
Compound notes
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