Benzyl ((3S,4R)-3-Fluoropiperidin-4-yl)carbamate - CAS 577691-60-2
Catalog: |
BB073685 |
Product Name: |
Benzyl ((3S,4R)-3-Fluoropiperidin-4-yl)carbamate |
CAS: |
577691-60-2 |
Synonyms: |
(3S,4R)-4-(Cbz-amino)-3-fluoropiperidine |
IUPAC Name: | benzyl N-[(3S,4R)-3-fluoropiperidin-4-yl]carbamate |
Description: | Benzyl ((3S,4R)-3-Fluoropiperidin-4-yl)carbamate is a reagent used in the preparation of quinoline, quinoxaline and naphthyridine derivatives as antibacterial agents. |
Molecular Weight: | 252.28 |
Molecular Formula: | C13H17FN2O2 |
Canonical SMILES: | C1CNCC(C1NC(=O)OCC2=CC=CC=C2)F |
InChI: | InChI=1S/C13H17FN2O2/c14-11-8-15-7-6-12(11)16-13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12+/m0/s1 |
InChI Key: | DWPWWTIOOLQURY-NWDGAFQWSA-N |
References: | Daines, R. A., et al. From PCT Int. Appl. (2007), WO 2007016610 A2 20070208. |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.12740595 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.12740595 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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