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88131-94-6 | Piperidine, 2-benzoyl-1-(2,2-diethyl-1-oxobutyl)-4-phenyl-, trans-
CAS No: 88131-94-6 Catalog No: AG004DIW MDL No:
Product Description
Catalog Number:
AG004DIW
Chemical Name:
Piperidine, 2-benzoyl-1-(2,2-diethyl-1-oxobutyl)-4-phenyl-, trans-
CAS Number:
88131-94-6
Molecular Formula:
C26H33NO2
Molecular Weight:
391.5457
IUPAC Name:
1-[(2R,4R)-2-benzoyl-4-phenylpiperidin-1-yl]-2,2-diethylbutan-1-one
InChI:
InChI=1S/C26H33NO2/c1-4-26(5-2,6-3)25(29)27-18-17-22(20-13-9-7-10-14-20)19-23(27)24(28)21-15-11-8-12-16-21/h7-16,22-23H,4-6,17-19H2,1-3H3/t22-,23-/m1/s1
InChI Key:
FDMJCHPLPGJHOX-DHIUTWEWSA-N
SMILES:
CCC(C(=O)N1CC[C@H](C[C@@H]1C(=O)c1ccccc1)c1ccccc1)(CC)CC
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
391.251g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.555g/mol
Monoisotopic Mass:
391.251g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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