Home Amines 1000053-23-5
1000053-23-5,MFCD08443960
Catalog No.:AA00006T
1000053-23-5 | Carbamic acid, N-[1-(4-amino-2-fluorophenyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
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Technical Information
Catalog Number:
AA00006T
Chemical Name:
Carbamic acid, N-[1-(4-amino-2-fluorophenyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1000053-23-5
Molecular Formula:
C16H24FN3O2
Molecular Weight:
309.3791
MDL Number:
MFCD08443960
IUPAC Name:
tert-butyl N-[1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamate
InChI:
InChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)19-12-6-8-20(9-7-12)14-5-4-11(18)10-13(14)17/h4-5,10,12H,6-9,18H2,1-3H3,(H,19,21)
InChI Key:
JDNYMHLVBPANAR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1ccc(cc1F)N
Properties
Computed Properties
 
Complexity:
378  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.185255g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.185255g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.6Ų
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
1000053-23-5 
tert-Butyl (1-(4-amino-2-fluorophenyl)piperidin-4-yl)carbamate 
AJ-124154 
tert-Butyl(1-(4-amino-2-fluorophenyl)piperidin-4-yl)carbamate 
SCHEMBL3212610 
JDNYMHLVBPANAR-UHFFFAOYSA-N 
ANW-55798 
ZINC82046459 
AX8182109 
TC-144543 
tert-Butyl (1-(4-amino-2-fluorophenyl)-piperidin-4-yl)carbamate 
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]carbamic acid tert-butyl ester 
Literature
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