1-BOC-4-(4-bromo-3,5-dimethylphenoxy)piperidine - ≥97% , CAS No.1072944-63-8

CAS: 1072944-63-8 Cat. No.: B179154 Peso molecular: 384.3 PubChem CID: 46739163

GRADE & PURITY ≥97%

Synonyms

DTXSID40674789 | tert-Butyl 4-(4-bromo-3,5-dimethylphenoxy)-piperidine-1-carboxylate | tert-Butyl 4-(4-bromo-3,5-dimethylphenoxy)piperidine-1-carboxylate | 1072944-63-8 | MFCD11504904 | tert-Butyl4-(4-bromo-3,5-dimethylphenoxy)piperidine-1-carboxylate | A

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID40674789 | tert-Butyl 4-(4-bromo-3, 5-dimethylphenoxy)-piperidine-1-carboxylate | tert-Butyl 4-(4-bromo-3, 5-dimethylphenoxy)piperidine-1-carboxylate | 1072944-63-8 | MFCD11504904 | tert-Butyl4-(4-bromo-3, 5-dimethylphenoxy)piperidine-1-carboxylate | A

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=CC(=C1Br)C)OC2CCN(CC2)C(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 4-(4-bromo-3,5-dimethylphenoxy)piperidine-1-carboxylate
• InChIKey: FTGLLUAQFRVJOF-UHFFFAOYSA-N
• INCHI: 1S/C18H26BrNO3/c1-12-10-15(11-13(2)16(12)19)22-14-6-8-20(9-7-14)17(21)23-18(3,4)5/h10-11,14H,6-9H2,1-5H3
• Isómeros SMILES: CC1=CC(=CC(=C1Br)C)OC2CCN(CC2)C(=O)OC(C)(C)C
• PubChem CID: 46739163
• Peso molecular: 384.3

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: m-Xylenes Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Carbamate esters Tertiary amines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Phenoxy compound - M-xylene - Xylene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Tertiary amine - Azacycle - Ether - Organohalogen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen 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: 384.300 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 383.11 Da
• Monoisotopic Mass: 383.11 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 390.000
• 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