2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-5-methoxy-2,3-dihydroinden-1-one


Chemical Name: 2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-5-methoxy-2,3-dihydroinden-1-one
CAS Number: 120013-56-1
Product Number: AG000Q2O(AGN-PC-001SKW)
Synonyms:
MDL No: MFCD08705296
Molecular Formula: C23H27NO3
Molecular Weight: 365.4654

Identification/Properties


Computed Properties
Molecular Weight:
365.473g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
365.199g/mol
Monoisotopic Mass:
365.199g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
496
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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