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116222-10-7 | 4-Piperidinone, 2,6-bis(4-methoxyphenyl)-1-methyl-, (2R,6S)-rel-
CAS No: 116222-10-7 Catalog No: AG000BYF MDL No:
Product Description
Catalog Number:
AG000BYF
Chemical Name:
4-Piperidinone, 2,6-bis(4-methoxyphenyl)-1-methyl-, (2R,6S)-rel-
CAS Number:
116222-10-7
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
(2R,6S)-2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
InChI:
InChI=1S/C20H23NO3/c1-21-19(14-4-8-17(23-2)9-5-14)12-16(22)13-20(21)15-6-10-18(24-3)11-7-15/h4-11,19-20H,12-13H2,1-3H3/t19-,20+
InChI Key:
XHLMLMBGYLHBDE-BGYRXZFFSA-N
SMILES:
COc1ccc(cc1)[C@@H]1CC(=O)C[C@@H](N1C)c1ccc(cc1)OC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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