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1016258-66-4 | 1,4-Piperidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 4-ethyl ester
CAS No: 1016258-66-4 Catalog No: AG0004ZQ MDL No:MFCD15144556
Product Description
Catalog Number:
AG0004ZQ
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 4-ethyl ester
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
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
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