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89451-53-6 | 1-Propanone, 3-(4-methoxyphenyl)-1-phenyl-3-(1-piperidinyl)-
CAS No: 89451-53-6 Catalog No: AG0042VS MDL No:
Product Description
Catalog Number:
AG0042VS
Chemical Name:
1-Propanone, 3-(4-methoxyphenyl)-1-phenyl-3-(1-piperidinyl)-
CAS Number:
89451-53-6
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
3-(4-methoxyphenyl)-1-phenyl-3-piperidin-1-ylpropan-1-one
InChI:
InChI=1S/C21H25NO2/c1-24-19-12-10-17(11-13-19)20(22-14-6-3-7-15-22)16-21(23)18-8-4-2-5-9-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3
InChI Key:
XKIRIGWSQYNKBO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(N1CCCCC1)CC(=O)c1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.436g/mol
Monoisotopic Mass:
323.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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