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89242-10-4 | Piperidine, 1-[(1-phenyl-3-isoquinolinyl)carbonyl]-
CAS No: 89242-10-4 Catalog No: AG0042NX MDL No:
Product Description
Catalog Number:
AG0042NX
Chemical Name:
Piperidine, 1-[(1-phenyl-3-isoquinolinyl)carbonyl]-
CAS Number:
89242-10-4
Molecular Formula:
C21H20N2O
Molecular Weight:
316.3963
IUPAC Name:
(1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C21H20N2O/c24-21(23-13-7-2-8-14-23)19-15-17-11-5-6-12-18(17)20(22-19)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2
InChI Key:
RDPXOLUDMRLQGN-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2c(n1)c1ccccc1)N1CCCCC1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.404g/mol
Monoisotopic Mass:
316.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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