Home Carboxys (3S,4R)-benzyl 3-((tert-butoxycarbonyl)amino)-4-fluoropiperidine-1-carboxylate

(3S,4R)-benzyl 3-((tert-butoxycarbonyl)amino)-4-fluoropiperidine-1-carboxylate

CAS No.:
2048229-99-6
Catalog Number:
AG01DFP6
Molecular Formula:
C18H25FN2O4
Molecular Weight:
352.4005
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Product Description
Catalog Number:
AG01DFP6
Chemical Name:
(3S,4R)-benzyl 3-((tert-butoxycarbonyl)amino)-4-fluoropiperidine-1-carboxylate
CAS Number:
2048229-99-6
Molecular Formula:
C18H25FN2O4
Molecular Weight:
352.4005
IUPAC Name:
benzyl (3R,4S)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C18H25FN2O4/c1-18(2,3)25-16(22)20-15-11-21(10-9-14(15)19)17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,20,22)/t14-,15+/m0/s1
InChI Key:
MVHJFTQWJQHIAL-LSDHHAIUSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CN(CC[C@H]1F)C(=O)OCc1ccccc1
Properties
Complexity:
461  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
352.18g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.406g/mol
Monoisotopic Mass:
352.18g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties