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1-[(tert-butoxy)carbonyl]-4-fluoropiperidine-4-carboxylic acid - 97%, high purity , CAS No.614731-04-3
Discover 1-[(tert-butoxy)carbonyl]-4-fluoropiperidine-4-carboxylic acid by Aladdin Scientific in 97% for only $75.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
614731-04-3 | 1-Boc-4-fluoro-4-piperidinecarboxylic Acid | 1-Boc-4-Fluoropiperidine-4-carboxylic acid | 1-(tert-butoxycarbonyl)-4-fluoropiperidine-4-carboxylic acid | 1-[(tert-butoxy)carbonyl]-4-fluoropiperidine-4-carboxylic acid | MFCD08062530 | 4-fluoro-1-[(2-methy
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Carbamate esters Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Piperidinecarboxylic acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
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
4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
INCHI
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKey
NRQOTEPIFSRDMH-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)F
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)F
PubChem CID
21050397
Molecular Weight
247.266
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
247.260 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
247.122 Da
Monoisotopic Mass
247.122 Da
Topological Polar Surface Area
66.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
316.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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