GRADE & PURITY Moligand™, ≥97%

Synonyms

1-(tert-butoxycarbonyl)piperidine-4-methanol | DTXSID70377291 | tertiary butyl 4-(hydroxymethyl)piperidine-1-carboxylate | 1-t-butoxycarbonyl-4-(hydroxymethyl)piperidine | N-tert-butoxycarbonyl-4-piperidinemethanol | N-tert-butoxycarbonyl4-piperidinemetha

Storage

Room temperature

Shipped In

Normal

Descripción general

El N-Boc-4-piperidinetanol contiene un grupo protector tert-butiloxicarbonilo (t-BOC). Puede sintetizarse a partir de 4-piperidinemetanol mediante reacción con di-terc-butildicarbonato.

Specifications

Sinónimos

1-(tert-butoxycarbonyl)piperidine-4-methanol | DTXSID70377291 | tertiary butyl 4-(hydroxymethyl)piperidine-1-carboxylate | 1-t-butoxycarbonyl-4-(hydroxymethyl)piperidine | N-tert-butoxycarbonyl-4-piperidinemethanol | N-tert-butoxycarbonyl4-piperidinemetha

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193381
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(CC1)CO
• IUPAC Name: tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
• InChIKey: CTEDVGRUGMPBHE-UHFFFAOYSA-N
• INCHI: 1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9,13H,4-8H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CO
• WGK Alemania: 3
• Peso molecular: 215.29
• Reaxy-Rn: 7291856
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7291856&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: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 78-82°C
• Peso molecular: 215.290 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.152 Da
• Monoisotopic Mass: 215.152 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 214.000
• 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