Home Other Building Blocks 4-oxo-4-((1-(2-phenethylphenoxy)-3-(piperidin-1-yl)propan-2-yl)oxy)butanoic acid hydrochloride

4-oxo-4-((1-(2-phenethylphenoxy)-3-(piperidin-1-yl)propan-2-yl)oxy)butanoic acid hydrochloride

CAS No.:
86819-29-6
Catalog Number:
AG01DDMH
Molecular Formula:
C26H34ClNO5
Molecular Weight:
476.0049
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Product Description
Catalog Number:
AG01DDMH
Chemical Name:
4-oxo-4-((1-(2-phenethylphenoxy)-3-(piperidin-1-yl)propan-2-yl)oxy)butanoic acid hydrochloride
CAS Number:
86819-29-6
Molecular Formula:
C26H34ClNO5
Molecular Weight:
476.0049
IUPAC Name:
4-oxo-4-[1-[2-(2-phenylethyl)phenoxy]-3-piperidin-1-ylpropan-2-yl]oxybutanoic acid;hydrochloride
InChI:
InChI=1S/C26H33NO5.ClH/c28-25(29)15-16-26(30)32-23(19-27-17-7-2-8-18-27)20-31-24-12-6-5-11-22(24)14-13-21-9-3-1-4-10-21;/h1,3-6,9-12,23H,2,7-8,13-20H2,(H,28,29);1H
InChI Key:
NCPBQPHLYNIIPJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)OC(CN1CCCCC1)COc1ccccc1CCc1ccccc1.Cl
Properties
Complexity:
556  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.213g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
476.01g/mol
Monoisotopic Mass:
475.213g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties