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1268520-82-6 | 1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, phenylmethyl ester, (3R,4S)-rel-
CAS No: 1268520-82-6 Catalog No: AG000TCL MDL No:MFCD18632651
Product Description
Catalog Number:
AG000TCL
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, phenylmethyl ester, (3R,4S)-rel-
CAS Number:
1268520-82-6
Molecular Formula:
C13H17FN2O2
Molecular Weight:
252.2847
MDL Number:
MFCD18632651
IUPAC Name:
benzyl (3R,4S)-4-amino-3-fluoropiperidine-1-carboxylate
InChI:
InChI=1S/C13H17FN2O2/c14-11-8-16(7-6-12(11)15)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,15H2/t11-,12+/m1/s1
InChI Key:
SYVUWEZGXXHYPH-NEPJUHHUSA-N
SMILES:
N[C@H]1CCN(C[C@H]1F)C(=O)OCc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
252.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.289g/mol
Monoisotopic Mass:
252.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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