200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1612176-00-7
1612176-00-7 | 1-Piperidinecarboxylic acid, 5-fluoro-4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl ester, (4R,5S)-rel-
CAS No: 1612176-00-7 Catalog No: AG001S9G MDL No:MFCD27988130
Product Description
Catalog Number:
AG001S9G
Chemical Name:
1-Piperidinecarboxylic acid, 5-fluoro-4-hydroxy-3,3-dimethyl-, 1,1-dimethylethyl ester, (4R,5S)-rel-
CAS Number:
1612176-00-7
Molecular Formula:
C12H22FNO3
Molecular Weight:
247.3064
MDL Number:
MFCD27988130
IUPAC Name:
tert-butyl (4R,5S)-5-fluoro-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
InChI:
InChI=1S/C12H22FNO3/c1-11(2,3)17-10(16)14-6-8(13)9(15)12(4,5)7-14/h8-9,15H,6-7H2,1-5H3/t8-,9-/m0/s1
InChI Key:
ZXQXELYTJRBLOD-IUCAKERBSA-N
SMILES:
F[C@H]1CN(CC([C@H]1O)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
247.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.31g/mol
Monoisotopic Mass:
247.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.