tert-butyl 3-(cyanomethyl)piperidine-1-carboxylate


Chemical Name: tert-butyl 3-(cyanomethyl)piperidine-1-carboxylate
CAS Number: 948015-72-3
Product Number: AG00IIJW(AGN-PC-0459I3)
Synonyms:
MDL No: MFCD08461079
Molecular Formula: C12H20N2O2
Molecular Weight: 224.2994

Identification/Properties


Computed Properties
Molecular Weight:
224.304g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
224.152g/mol
Monoisotopic Mass:
224.152g/mol
Topological Polar Surface Area:
53.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
298
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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