Home Carboxys methyl 1-(2-cyanoethyl)piperidine-4-carboxylate

methyl 1-(2-cyanoethyl)piperidine-4-carboxylate

CAS No.:
4700-94-1
Catalog Number:
AG01A1QG
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
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Product Description
Catalog Number:
AG01A1QG
Chemical Name:
methyl 1-(2-cyanoethyl)piperidine-4-carboxylate
CAS Number:
4700-94-1
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD09947042
IUPAC Name:
methyl 1-(2-cyanoethyl)piperidine-4-carboxylate
InChI:
InChI=1S/C10H16N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-4,6-8H2,1H3
InChI Key:
OFAZMLKXFXBXJC-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)CCC#N
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties