Basic information
- CAS
524058-22-8- Standard SMILES
O=C(c1ccccc1F)N1CCCC(C(=O)N2CCc3ccccc3C2)C1- InChIKey
KVXMYPWFHUNBFR-UHFFFAOYSA-N- Molecular formula
- C22H23FN2O2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.17435614
Names & identifiers
- Preferred name
- 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone
- IUPAC
- 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone
Names & synonyms
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone524058-22-8MLS000332859CHEMBL1872474[3-(3,4-Dihydroisoquinoline-2(1H)-carbonyl)piperidin-1-yl](2-fluorophenyl)methanoneDTXSID001327302HMS2794F14STK194667AKOS022086190SMR000436146(3,4-dihydroisoquinolin-2(1H)-yl)(1-(2-fluorobenzoyl)piperidin-3-yl)methanone[3-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-piperidin-1-yl]-(2-fluoro-phenyl)-methanone
Show more names
3,4-dihydroisoquinolin-2(1H)-yl{1-[(2-fluorophenyl)carbonyl]piperidin-3-yl}methanone
Database identifiers
- CAS
524058-22-8- PubChem CID
- 3694715
- DTXSID
DTXSID001327302- ChEMBL
CHEMBL1872474
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 554
Experimental & physicochemical properties
Solubility51.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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