methyl 4-(piperazin-1-ylmethyl)benzoate


Chemical Name: methyl 4-(piperazin-1-ylmethyl)benzoate
CAS Number: 86620-81-7
Product Number: AG00GRC2(AGN-PC-0LW897)
Synonyms:
MDL No:
Molecular Formula: C13H18N2O2
Molecular Weight: 234.2942

Identification/Properties


Computed Properties
Molecular Weight:
234.299g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
234.137g/mol
Monoisotopic Mass:
234.137g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
244
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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