Basic information
- Standard SMILES
COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2- InChIKey
LPTNUCSJSXOWRA-UHFFFAOYSA-N- Molecular formula
- C22H32N2O5
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-6,7-Dimethoxy-2-{[1-(tert-butyloxycarbonyl)-3-piperidyl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- tert-butyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL6590781LPTNUCSJSXOWRA-UHFFFAOYSA-NAKOS033356029Z145200432(+/-)-6,7-dimethoxy-2-{[1-(tert-butyloxycarbonyl)-3-piperidyl]carbonyl}-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 18520105
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
Related reactions
4 records
Linked notes
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