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1000931-04-3,MFCD08461249
Catalog No.:AA0000SX
1000931-04-3 | 1-Piperidinecarboxylic acid, 3-hydroxy-4-phenyl-, 1,1-dimethylethyl ester
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100mg
95%
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$229.00
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250mg
95%
in stock  
$452.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000SX
Chemical Name:
1-Piperidinecarboxylic acid, 3-hydroxy-4-phenyl-, 1,1-dimethylethyl ester
CAS Number:
1000931-04-3
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
MDL Number:
MFCD08461249
IUPAC Name:
tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate
InChI:
InChI=1S/C16H23NO3/c1-16(2,3)20-15(19)17-10-9-13(14(18)11-17)12-7-5-4-6-8-12/h4-8,13-14,18H,9-11H2,1-3H3
InChI Key:
HWNKSGVMOCONJS-UHFFFAOYSA-N
SMILES:
OC1CN(CCC1c1ccccc1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
1000931-04-3 
tert-butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate 
HWNKSGVMOCONJS-UHFFFAOYSA-N 
0087AA 
ANW-59289 
MFCD08461249 
AKOS016002195 
CB-2813 
CS-W001277 
MCULE-6768153165 
QC-4893 
KS-00000I32 
1-Boc-3-Hydroxy-4-phenylpiperidine 
AM807799 
BBV-27029071 
DS-13062 
AB0081554 
AX8163629 
DB-058284 
TC-148034 
FT-0744637 
t-Butyl 3-hydroxy-4-phenylpiperidine-1-carboxylate 
Z425449568 
AK-38911 
tert-butyl (3RS,4RS)-3-hydroxy-4-phenyl-piperidine-1-carboxylate 
1-Piperidinecarboxylic acid, 3-hydroxy-4-phenyl-, 1,1-dimethylethyl ester 
C16H23NO3 
1349199-63-8 
EN300-28999 
1-N-Boc-3-hydroxy-4-phenylpiperidine 
AC1Q1MYW 
SCHEMBL407256 
CTK8A0657 
DTXSID80609313 
Literature
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