tert-Butyl ((3R,5R)-5-fluoropiperidin-3-yl)carbamate - ≥98% , CAS No.1363378-07-7

CAS: 1363378-07-7 Cat. No.: T587079 Molecular Weight: 218.27 PubChem CID: 72208225

GRADE & PURITY ≥98%

Synonyms

AS-51703 | P13330 | AMY35592 | SCHEMBL21563530 | tert-Butyl((3R,5R)-5-fluoropiperidin-3-yl)carbamate | (3R,5R)-(5-Fluoro-piperidin-3-yl)-carbamic acid tert-butyl ester | EN300-7150130 | 1363378-07-7 | (3R,5R)-3-(Boc-Amino)-5-fluoropiperidine | Carbamic ac

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

AS-51703 | P13330 | AMY35592 | SCHEMBL21563530 | tert-Butyl((3R, 5R)-5-fluoropiperidin-3-yl)carbamate | (3R, 5R)-(5-Fluoro-piperidin-3-yl)-carbamic acid tert-butyl ester | EN300-7150130 | 1363378-07-7 | (3R, 5R)-3-(Boc-Amino)-5-fluoropiperidine | Carbamic ac

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772267
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772267
• Canonical Smiles: CC(C)(C)OC(=O)NC1CC(CNC1)F
• IUPAC Name: tert-butyl N-[(3R,5R)-5-fluoropiperidin-3-yl]carbamate
• InChIKey: ACHGEWOGBWGEEL-HTQZYQBOSA-N
• INCHI: 1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC1)F
• Alternate CAS: 1363378-07-7
• PubChem CID: 72208225
• Molecular Weight: 218.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• 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.

DOI: 10.1186/s13321-016-0174-y

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