Basic information
- CAS
62370-81-4- Standard SMILES
CCN1CCC(OC(=O)c2ccccc2)(c2nccc3ccccc23)CC1- InChIKey
UKBNZWHAAQUZJH-UHFFFAOYSA-N- Molecular formula
- C23H24N2O2
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.18377801
Names & identifiers
- Preferred name
- (1-Ethyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate
- IUPAC
- (1-ethyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate
Names & synonyms
62370-81-4NSC267428(1-ethyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoateDTXSID60313204NSC-2674281-Ethyl-4-(isoquinolin-1-yl)piperidin-4-yl benzoate
Database identifiers
- CAS
62370-81-4- PubChem CID
- 320332
- DTXSID
DTXSID60313204
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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