Home Other Building Blocks Cis-5-Cyano-2-Methyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester

Cis-5-Cyano-2-Methyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester

CAS No.:
1253200-84-8
Catalog Number:
AG01DKB0
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
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Product Description
Catalog Number:
AG01DKB0
Chemical Name:
Cis-5-Cyano-2-Methyl-Piperidine-1-Carboxylic Acid Tert-Butyl Ester
CAS Number:
1253200-84-8
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
MDL Number:
MFCD30185147
IUPAC Name:
tert-butyl (2R,5S)-5-cyano-2-methylpiperidine-1-carboxylate
InChI:
InChI=1S/C12H20N2O2/c1-9-5-6-10(7-13)8-14(9)11(15)16-12(2,3)4/h9-10H,5-6,8H2,1-4H3/t9-,10-/m1/s1
InChI Key:
DNGIVRGRDVYEPQ-NXEZZACHSA-N
SMILES:
C[C@@H]1CC[C@@H](CN1C(=O)OC(C)(C)C)C#N
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties