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1000053-44-0 | 1-Piperidinecarboxylic acid, 4-[(4-amino-2-fluorophenoxy)methyl]-, 1,1-dimethylethyl ester
CAS No: 1000053-44-0 Catalog No: AG00009K MDL No:
Product Description
Catalog Number:
AG00009K
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(4-amino-2-fluorophenoxy)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1000053-44-0
Molecular Formula:
C17H25FN2O3
Molecular Weight:
324.3904
IUPAC Name:
tert-butyl 4-[(4-amino-2-fluorophenoxy)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25FN2O3/c1-17(2,3)23-16(21)20-8-6-12(7-9-20)11-22-15-5-4-13(19)10-14(15)18/h4-5,10,12H,6-9,11,19H2,1-3H3
InChI Key:
KLQVHGZWTWPUEG-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)OCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.185g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.396g/mol
Monoisotopic Mass:
324.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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