Benzyl ((3S,4R)-3-Fluoropiperidin-4-yl)carbamate - CAS 577691-60-2

Name: Benzyl ((3S,4R)-3-Fluoropiperidin-4-yl)carbamate
Brand: BOC Sciences
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Catalog:	BB073685
Product Name:	Benzyl ((3S,4R)-3-Fluoropiperidin-4-yl)carbamate
CAS:	577691-60-2
Synonyms:	(3S,4R)-4-(Cbz-amino)-3-fluoropiperidine

Technical Data

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:	50.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6