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1228185-45-2 | 1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, (3S,4S)-
CAS No: 1228185-45-2 Catalog No: AG000JJ9 MDL No:MFCD26516106
Product Description
Catalog Number:
AG000JJ9
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, (3S,4S)-
CAS Number:
1228185-45-2
Molecular Formula:
C10H19FN2O2
Molecular Weight:
218.2685
MDL Number:
MFCD26516106
IUPAC Name:
tert-butyl (3S,4S)-4-amino-3-fluoropiperidine-1-carboxylate
InChI:
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8-/m0/s1
InChI Key:
ZQRYPCAUVKVMLZ-YUMQZZPRSA-N
SMILES:
N[C@H]1CCN(C[C@@H]1F)C(=O)OC(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.143g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.272g/mol
Monoisotopic Mass:
218.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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