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1027710-05-9,MFCD27997363
Catalog No.:AA00089I
1027710-05-9 | Cis-1-tert-butyl 4-ethyl 3-phenylpiperidine-1,4-dicarboxylate
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250mg
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$239.00   $167.00
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Technical Information
Catalog Number:
AA00089I
Chemical Name:
Cis-1-tert-butyl 4-ethyl 3-phenylpiperidine-1,4-dicarboxylate
CAS Number:
1027710-05-9
Molecular Formula:
C19H27NO4
Molecular Weight:
333.4220
MDL Number:
MFCD27997363
IUPAC Name:
1-O-tert-butyl 4-O-ethyl (3R,4S)-3-phenylpiperidine-1,4-dicarboxylate
InChI:
InChI=1S/C19H27NO4/c1-5-23-17(21)15-11-12-20(18(22)24-19(2,3)4)13-16(15)14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3/t15-,16-/m0/s1
InChI Key:
RUKNPFBJQDRKIS-HOTGVXAUSA-N
SMILES:
CCOC(=O)[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.194g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.428g/mol
Monoisotopic Mass:
333.194g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
1027710-05-9 
Ethyl cis-N-Boc-3-phenylpiperidine-4-carboxylate 
1-O-tert-Butyl 4-O-ethyl (3R,4S)-3-phenylpiperidine-1,4-dicarboxylate 
4-ethyl 1-tert-butyl (3R*,4S*)-3-phenylpiperidine-1,4-dicarboxylate 
cis-3-phenyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester 
Cis-1-Tert-Butyl 4-Ethyl 3-Phenylpiperidine-1,4-Dicarboxylate 
SCHEMBL4004318 
RUKNPFBJQDRKIS-HOTGVXAUSA-N 
MFCD27997363 
ZINC95837086 
CS-11913 
CS-0036422 
cis-1-t-Butyl 4-ethyl 3-phenylpiperidine-1,4-dicarboxylate 
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