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116222-11-8 | 4-Piperidinone, 1-methyl-2,6-bis(4-methylphenyl)-, (2R,6S)-rel-
CAS No: 116222-11-8 Catalog No: AG000BYE MDL No:
Product Description
Catalog Number:
AG000BYE
Chemical Name:
4-Piperidinone, 1-methyl-2,6-bis(4-methylphenyl)-, (2R,6S)-rel-
CAS Number:
116222-11-8
Molecular Formula:
C20H23NO
Molecular Weight:
293.4027
IUPAC Name:
(2S,6R)-1-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
InChI:
InChI=1S/C20H23NO/c1-14-4-8-16(9-5-14)19-12-18(22)13-20(21(19)3)17-10-6-15(2)7-11-17/h4-11,19-20H,12-13H2,1-3H3/t19-,20+
InChI Key:
UNCXGXDYEIUDJW-BGYRXZFFSA-N
SMILES:
CN1[C@H](CC(=O)C[C@H]1c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
293.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.41g/mol
Monoisotopic Mass:
293.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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