2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one


Chemical Name: 2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CAS Number: 197010-20-1
Product Number: AG00ADHU(AGN-PC-00SBHO)
Synonyms:
MDL No:
Molecular Formula: C24H29NO4
Molecular Weight: 395.49136

Identification/Properties


Computed Properties
Molecular Weight:
395.499g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
395.21g/mol
Monoisotopic Mass:
395.21g/mol
Topological Polar Surface Area:
59A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
541
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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