| CAS Number | 1207853-10-8 |
| Catalog Number | AG00925X(AGN-PC-0PF5BT) |
| Chemical Name | cis-Benzyl 4-fluoro-3-hydroxypiperidine-1-carboxylate |
| IUPAC Name | benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate |
| InChI | InChI=1S/C13H16FNO3/c14-11-6-7-15(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9H2/t11-,12+/m1/s1 |
| InChI Key | HNBFJUNWIWJEJJ-NEPJUHHUSA-N |
| MDL Number | MFCD12031280 |
| Molecular Formula | C13H16FNO3 |
| Molecular Weight | 253.2694 |
| SMILES | F[C@@H]1CCN(C[C@@H]1O)C(=O)OCc1ccccc1 |
| Synonyms | 1207853-10-8,
cis-4-Fluoro-3-hydroxy-piperidine-1-carboxylic acid benzyl ester,
cis-Benzyl 4-fluoro-3-hydroxypiperidine-1-carboxylate,
SCHEMBL376836,
BENZYL (3S,4R)-4-FLUORO-3-HYDROXYPIPERIDINE-1-CARBOXYLATE,
MFCD22631443,
WT1093,
ZINC32915021,
AKOS015900784,
CS-0035944,
I14-16030,
1207853-10-8 benzyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate,
HNBFJUNWIWJEJJ-NEPJUHHUSA-N,
(3R,4S)-rel-4-Fluoro-3-hydroxy-1-piperidinecarboxylic acid phenylmethyl ester,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.273g/mol |
| Monoisotopic Mass | 253.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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