1-(1-BOC-Piperidino)pyrazole-4-boronic acid - ≥95% , CAS No.1190875-39-8

CAS: 1190875-39-8 Cat. No.: B180004 Peso molecular: 295.1

GRADE & PURITY ≥95%

Synonyms

SB31619 | BS-19983 | DTXSID00675373 | SCHEMBL15464664 | EN300-234035 | [1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]boronic acid | (1-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-1H-pyrazol-4-yl)boronicacid | 1-Piperidinecarboxylic acid,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SB31619 | BS-19983 | DTXSID00675373 | SCHEMBL15464664 | EN300-234035 | [1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]boronic acid | (1-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-1H-pyrazol-4-yl)boronicacid | 1-Piperidinecarboxylic acid,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770774
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770774
• Sonrisas canónicas: B(C1=CN(N=C1)C2CCN(CC2)C(=O)OC(C)(C)C)(O)O
• IUPAC Name: [1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]boronic acid
• InChIKey: BDHMWOQIBZOHFK-UHFFFAOYSA-N
• INCHI: 1S/C13H22BN3O4/c1-13(2,3)21-12(18)16-6-4-11(5-7-16)17-9-10(8-15-17)14(19)20/h8-9,11,19-20H,4-7H2,1-3H3
• Isómeros SMILES: B(C1=CN(N=C1)C2CCN(CC2)C(=O)OC(C)(C)C)(O)O
• Peso molecular: 295.1
• Reaxy-Rn: 26519766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26519766&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Pyrazoles Heteroaromatic compounds Carbamate esters Tertiary amines Boronic acids Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Azole - Pyrazole - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 295.140 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 295.17 Da
• Monoisotopic Mass: 295.17 Da
• Topological Polar Surface Area: 87.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 367.000
• 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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