Home Carboxys rac-tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate, cis

rac-tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate, cis

CAS No.:
1969288-08-1
Catalog Number:
AG01B5PS
Molecular Formula:
C17H25FN2O3
Molecular Weight:
324.3904
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Product Description
Catalog Number:
AG01B5PS
Chemical Name:
rac-tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate, cis
CAS Number:
1969288-08-1
Molecular Formula:
C17H25FN2O3
Molecular Weight:
324.3904
MDL Number:
MFCD30181830
IUPAC Name:
tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H25FN2O3/c1-17(2,3)23-16(21)20-8-7-12(14(19)10-20)11-5-6-15(22-4)13(18)9-11/h5-6,9,12,14H,7-8,10,19H2,1-4H3/t12-,14-/m0/s1
InChI Key:
QDYHKYUYQAKZIN-JSGCOSHPSA-N
SMILES:
COc1ccc(cc1F)[C@@H]1CCN(C[C@@H]1N)C(=O)OC(C)(C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
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:
4  
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties