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89003-69-0 | 2,6-Piperidinedione, 1-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-
CAS No: 89003-69-0 Catalog No: AG0045KY MDL No:
Product Description
Catalog Number:
AG0045KY
Chemical Name:
2,6-Piperidinedione, 1-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-
CAS Number:
89003-69-0
Molecular Formula:
C15H18N2O2
Molecular Weight:
258.3156
IUPAC Name:
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-2,6-dione
InChI:
InChI=1S/C15H18N2O2/c18-14-6-3-7-15(19)17(14)11-16-9-8-12-4-1-2-5-13(12)10-16/h1-2,4-5H,3,6-11H2
InChI Key:
QFWMBVBZNTVPIW-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=O)N1CN1CCc2c(C1)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.321g/mol
Monoisotopic Mass:
258.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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