Home Bromides 100794-31-8
100794-31-8,MFCD03670777
Catalog No.:AA0002TJ
100794-31-8 | 1-Piperidineethanol, α-[(2-bromophenoxy)methyl]-
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1g
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Technical Information
Catalog Number:
AA0002TJ
Chemical Name:
1-Piperidineethanol, α-[(2-bromophenoxy)methyl]-
CAS Number:
100794-31-8
Molecular Formula:
C14H20BrNO2
Molecular Weight:
314.2181
MDL Number:
MFCD03670777
IUPAC Name:
1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
InChI:
InChI=1S/C14H20BrNO2/c15-13-6-2-3-7-14(13)18-11-12(17)10-16-8-4-1-5-9-16/h2-3,6-7,12,17H,1,4-5,8-11H2
InChI Key:
KLBCAIPPVSRHBK-UHFFFAOYSA-N
SMILES:
OC(CN1CCCCC1)COc1ccccc1Br
Properties
Computed Properties
 
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.068g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.223g/mol
Monoisotopic Mass:
313.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Synonyms
 
100794-31-8 
1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol 
MFCD03670777 
STK739530 
AKOS002724598 
AKOS016088297 
MCULE-2163488754 
ABA-10163326 
Y-0740 
SR-01000244313 
1-(2-Bromophenoxy)-3-(1-piperidinyl)-2-propanol 
SR-01000244313-1 
1-(2-bromophenoxy)-3-(piperidin-1-yl)propan-2-ol 
1-Piperidineethanol, alpha-[(2-bromophenoxy)methyl]- 
CID2915531 
1-(2-bromophenoxy)-3-(1-piperidyl)propan-2-ol 
F1438-0045 
CHEMBRDG-BB 6833296 
AC1MF8TU 
Cambridge id 6833296 
CTK3J9257 
DTXSID30387795 
ZX-CM017033 
Literature
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