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89451-51-4 | 1-Propanone, 3-(4-chlorophenyl)-1-phenyl-3-(1-piperidinyl)-
CAS No: 89451-51-4 Catalog No: AG0042VT MDL No:
Product Description
Catalog Number:
AG0042VT
Chemical Name:
1-Propanone, 3-(4-chlorophenyl)-1-phenyl-3-(1-piperidinyl)-
CAS Number:
89451-51-4
Molecular Formula:
C20H22ClNO
Molecular Weight:
327.8478
IUPAC Name:
3-(4-chlorophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-one
InChI:
InChI=1S/C20H22ClNO/c21-18-11-9-16(10-12-18)19(22-13-5-2-6-14-22)15-20(23)17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2
InChI Key:
MOICMWMPDKDPIK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(N1CCCCC1)CC(=O)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.139g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.852g/mol
Monoisotopic Mass:
327.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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