2-(4-N-Boc-piperazino)pyridine-5-boronic acid - ≥96% , CAS No.919347-67-4

CAS: 919347-67-4 Cat. No.: N188276 Molecular Weight: 307.2

GRADE & PURITY ≥96%

Synonyms

[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid | FT-0719391 | 6-(4-Boc-1-piperazinyl)pyridine-3-boronic Acid | C14H22BN3O4 | MFCD09952037 | 6-(4-Boc-piperazine-1-yl)pyridine-3-boronic acid | 6-(4-N-Boc-Piperazine-1-yl)-3-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid | FT-0719391 | 6-(4-Boc-1-piperazinyl)pyridine-3-boronic Acid | C14H22BN3O4 | MFCD09952037 | 6-(4-Boc-piperazine-1-yl)pyridine-3-boronic acid | 6-(4-N-Boc-Piperazine-1-yl)-3-

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504771093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771093
• Canonical Smiles: B(C1=CN=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O
• IUPAC Name: [6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridin-3-yl]boronic acid
• InChIKey: SYZMMRYQYWCLNC-UHFFFAOYSA-N
• INCHI: 1S/C14H22BN3O4/c1-14(2,3)22-13(19)18-8-6-17(7-9-18)12-5-4-11(10-16-12)15(20)21/h4-5,10,20-21H,6-9H2,1-3H3
• Isomeric SMILES: B(C1=CN=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C)(O)O
• Molecular Weight: 307.2
• Reaxy-Rn: 14428978
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14428978&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Carbamate esters Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Carbamic acid ester - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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: 307.160 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 307.17 Da
• Monoisotopic Mass: 307.17 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 381.000
• 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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