Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(OCC3CCN(c4ccncc4)CC3)ccc2C1- InChIKey
YHMWQXQBSPVVCN-UHFFFAOYSA-N- Molecular formula
- C25H33N3O3
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- 6-[1-(Pyridin-4-yl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 6-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL6192884YHMWQXQBSPVVCN-UHFFFAOYSA-N6-[1-(Pyridin-4-yl)piperidin-4-ylmethoxy]-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 60064178
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
Loading…