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120848-76-2 | (3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-PIPERIDIN-4-YL-METHANONE
CAS No: 120848-76-2 Catalog No: AG008SXT MDL No:MFCD03372519
Product Description
Catalog Number:
AG008SXT
Chemical Name:
(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-PIPERIDIN-4-YL-METHANONE
CAS Number:
120848-76-2
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
MDL Number:
MFCD03372519
IUPAC Name:
3,4-dihydro-1H-isoquinolin-2-yl(piperidin-4-yl)methanone
InChI:
InChI=1S/C15H20N2O/c18-15(13-5-8-16-9-6-13)17-10-7-12-3-1-2-4-14(12)11-17/h1-4,13,16H,5-11H2
InChI Key:
BAUPZLTVOMQSAD-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)C1CCNCC1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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