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1016258-66-4,MFCD15144556
Catalog No.:AA0004WY
1016258-66-4 | 1-tert-Butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate
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100mg
95%
in stock  
$135.00   $95.00
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250mg
95%
in stock  
$215.00   $150.00
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1g
95%
in stock  
$572.00   $400.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0004WY
Chemical Name:
1-tert-Butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate
CAS Number:
1016258-66-4
Molecular Formula:
C14H22N2O4
Molecular Weight:
282.3355
MDL Number:
MFCD15144556
IUPAC Name:
1-O-tert-butyl 4-O-ethyl 4-cyanopiperidine-1,4-dicarboxylate
InChI:
InChI=1S/C14H22N2O4/c1-5-19-11(17)14(10-15)6-8-16(9-7-14)12(18)20-13(2,3)4/h5-9H2,1-4H3
InChI Key:
IEKGLZRZMZMUCH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C#N)CCN(CC1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.158g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.34g/mol
Monoisotopic Mass:
282.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
1-tert-Butyl 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate 
1016258-66-4 
0424AA 
ANW-68081 
MFCD15144556 
ZINC49879446 
1-(tert-butoxycarbonyl)-4-cyanopiperidine-4-carboxylic acid ethyl ester 
AKOS016007171 
AM86020 
DS-16039 
AJ-111497 
AX8237696 
AK-80770 
TC-156826 
ST24038206 
O1-tert-Butyl O4-ethyl 4-cyanopiperidine-1,4-dicarboxylate 
1-O-tert-butyl 4-O-ethyl 4-cyanopiperidine-1,4-dicarboxylate 
1,4-Piperidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 4-ethyl ester 
4-CYANO-PIPERIDINE-1,4-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 4-ETHYL ESTER 
C14H22N2O4 
1-tert-Butyl4-ethyl4-cyanopiperidine-1,4-dicarboxylate 
1-(tert-butyl) 4-ethyl 4-cyanopiperidine-1,4-dicarboxylate 
SCHEMBL386890 
AMPD00283 
CTK8C2242 
DTXSID60727827 
IEKGLZRZMZMUCH-UHFFFAOYSA-N 
KS-00000QK9 
Literature
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