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77472-99-2 | 2-PHENYL-4-(2-(PIPERIDIN-3-YL)ETHYL)-QUINOLINE
CAS No: 77472-99-2 Catalog No: AG005LEW MDL No:
Product Description
Catalog Number:
AG005LEW
Chemical Name:
2-PHENYL-4-(2-(PIPERIDIN-3-YL)ETHYL)-QUINOLINE
CAS Number:
77472-99-2
Molecular Formula:
C22H24N2
Molecular Weight:
316.4394
IUPAC Name:
2-phenyl-4-(2-piperidin-3-ylethyl)quinoline
InChI:
InChI=1S/C22H24N2/c1-2-8-18(9-3-1)22-15-19(13-12-17-7-6-14-23-16-17)20-10-4-5-11-21(20)24-22/h1-5,8-11,15,17,23H,6-7,12-14,16H2
InChI Key:
BRSGIGKMAFNWJD-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)CCc1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.194g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.448g/mol
Monoisotopic Mass:
316.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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