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1003843-30-8

1003843-30-8 | 1-Piperidinecarboxylic acid, 2,6-diethyl-4-oxo-, 1,1-dimethylethyl ester, (2R,6S)-rel-

CAS No: 1003843-30-8 Catalog No: AG0001TU MDL No:MFCD12406890

Product Description

Catalog Number:
AG0001TU
Chemical Name:
1-Piperidinecarboxylic acid, 2,6-diethyl-4-oxo-, 1,1-dimethylethyl ester, (2R,6S)-rel-
CAS Number:
1003843-30-8
Molecular Formula:
C14H25NO3
Molecular Weight:
255.3532
MDL Number:
MFCD12406890
IUPAC Name:
tert-butyl (2S,6R)-2,6-diethyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C14H25NO3/c1-6-10-8-12(16)9-11(7-2)15(10)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3/t10-,11+
InChI Key:
PRRQDRLRMZGMRO-PHIMTYICSA-N
SMILES:
CC[C@@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)CC

Properties

Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.183g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.358g/mol
Monoisotopic Mass:
255.183g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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