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870889-13-7 | 4-Piperidinecarbonitrile, 1-(4-cyano-1-naphthalenyl)-4-phenyl-
CAS No: 870889-13-7 Catalog No: AG004P7N MDL No:
Product Description
Catalog Number:
AG004P7N
Chemical Name:
4-Piperidinecarbonitrile, 1-(4-cyano-1-naphthalenyl)-4-phenyl-
CAS Number:
870889-13-7
Molecular Formula:
C23H19N3
Molecular Weight:
337.4171
IUPAC Name:
1-(4-cyanonaphthalen-1-yl)-4-phenylpiperidine-4-carbonitrile
InChI:
InChI=1S/C23H19N3/c24-16-18-10-11-22(21-9-5-4-8-20(18)21)26-14-12-23(17-25,13-15-26)19-6-2-1-3-7-19/h1-11H,12-15H2
InChI Key:
ZMHYJSYTZQYFPA-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)c1ccc(c2c1cccc2)C#N)c1ccccc1
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.426g/mol
Monoisotopic Mass:
337.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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