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769114-73-0 | 3-(piperidin-4-yl)-1,2-dihydroisoquinolin-1-one
CAS No: 769114-73-0 Catalog No: AG01C40U MDL No:MFCD20488019
Product Description
Catalog Number:
AG01C40U
Chemical Name:
3-(piperidin-4-yl)-1,2-dihydroisoquinolin-1-one
CAS Number:
769114-73-0
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD20488019
IUPAC Name:
3-piperidin-4-yl-2H-isoquinolin-1-one
InChI:
InChI=1S/C14H16N2O/c17-14-12-4-2-1-3-11(12)9-13(16-14)10-5-7-15-8-6-10/h1-4,9-10,15H,5-8H2,(H,16,17)
InChI Key:
QZACQOBVWWIIJM-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(cc2c1cccc2)C1CCNCC1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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