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1174020-42-8 | 1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
CAS No: 1174020-42-8 Catalog No: AG000E8G MDL No:MFCD18633012
Product Description
Catalog Number:
AG000E8G
Chemical Name:
1-Piperidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-
CAS Number:
1174020-42-8
Molecular Formula:
C10H18FNO3
Molecular Weight:
219.2532
MDL Number:
MFCD18633012
IUPAC Name:
tert-butyl (3R,4S)-3-fluoro-4-hydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6H2,1-3H3/t7-,8+/m1/s1
InChI Key:
XRNLYXKYODGLMI-SFYZADRCSA-N
SMILES:
O[C@H]1CCN(C[C@H]1F)C(=O)OC(C)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
219.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.256g/mol
Monoisotopic Mass:
219.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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