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80221-68-7 | 2-PHENYL-4-(2-(1-(2-PHENYLETHYL)-PIPERIDIN-4-YL)ETHYL)QUINOLINE
CAS No: 80221-68-7 Catalog No: AG005CA5 MDL No:
Product Description
Catalog Number:
AG005CA5
Chemical Name:
2-PHENYL-4-(2-(1-(2-PHENYLETHYL)-PIPERIDIN-4-YL)ETHYL)QUINOLINE
CAS Number:
80221-68-7
Molecular Formula:
C30H32N2
Molecular Weight:
420.5885
IUPAC Name:
2-phenyl-4-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]quinoline
InChI:
InChI=1S/C30H32N2/c1-3-9-24(10-4-1)17-20-32-21-18-25(19-22-32)15-16-27-23-30(26-11-5-2-6-12-26)31-29-14-8-7-13-28(27)29/h1-14,23,25H,15-22H2
InChI Key:
MHCRMJVJNZDKMJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCN1CCC(CC1)CCc1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.257g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.6g/mol
Monoisotopic Mass:
420.257g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
16.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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