Home Other Building Blocks 1-(cyanomethyl)piperidine-4-carboxamide

1-(cyanomethyl)piperidine-4-carboxamide

CAS No.:
951905-24-1
Catalog Number:
AG019YTW
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
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Product Description
Catalog Number:
AG019YTW
Chemical Name:
1-(cyanomethyl)piperidine-4-carboxamide
CAS Number:
951905-24-1
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
MDL Number:
MFCD09906897
IUPAC Name:
1-(cyanomethyl)piperidine-4-carboxamide
InChI:
InChI=1S/C8H13N3O/c9-3-6-11-4-1-7(2-5-11)8(10)12/h7H,1-2,4-6H2,(H2,10,12)
InChI Key:
PKBQOXAZTVZXNT-UHFFFAOYSA-N
SMILES:
N#CCN1CCC(CC1)C(=O)N
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties