Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2ccc(OCC3CCN(C(=O)OCc4ccccc4)CC3)cc2C1- InChIKey
XAFGINCIDZFROP-UHFFFAOYSA-N- Molecular formula
- C28H36N2O5
- Average molar mass
- 480.6 g/mol
Names & identifiers
- Preferred name
- 4-(2-tert-Butoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-1-carboxylic acid benzyl ester
- IUPAC
- tert-butyl 7-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL6190651XAFGINCIDZFROP-UHFFFAOYSA-N4-(2-tert-Butoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)-piperidine-1-carboxylic acid benzyl ester4-(2-tert-Butoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-7-yloxymethyl)piperidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 11248636
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 694
Related reactions
2 records
Compound notes
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