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tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate - 97%, high purity
Basic Description
Synonyms
1052713-48-0 | tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate | (3S,4S)-3-(Boc-amino)-4-fluoropiperidine | trans-tert-Butyl (4-fluoropiperidin-3-yl)carbamate | 1052713-46-8 | tert-butyl N-[trans-4-fluoropiperidin-3-yl]carbamate | cis-3-(boc-amino)-4-fluoropip
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Piperidines
Alternative Parents
Carbamate esters Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Amine - Alkyl halide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
tert-butyl N-[(3S,4S)-4-fluoropiperidin-3-yl]carbamate
INCHI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
PHKRFWRGEVHCAT-YUMQZZPRSA-N
Smiles
CC(C)(C)OC(=O)NC1CNCCC1F
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
218.270 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
218.143 Da
Monoisotopic Mass
218.143 Da
Topological Polar Surface Area
50.400 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
228.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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