4-[(Phenylmethoxy)methyl]piperidine - ≥97% , CAS No.37088-21-4

CAS: 37088-21-4 Cat. No.: P633725 Summenformel: C₁₃H₁₉NO Molekulargewicht: 205.30

GRADE & PURITY ≥97%

Synonyms

4-Benzyloxymethyl-piperidine | 37088-21-4 | 4-[(benzyloxy)methyl]piperidine | 4-((Benzyloxy)methyl)piperidine | 4-(phenylmethoxymethyl)piperidine | 4-[(Phenylmethoxy)methyl]piperidine | MLS001208741 | SCHEMBL5717245 | CHEMBL1464627 | HMS2817O19 | MFCD0764

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

4-Benzyloxymethyl-piperidine | 37088-21-4 | 4-[(benzyloxy)methyl]piperidine | 4-((Benzyloxy)methyl)piperidine | 4-(phenylmethoxymethyl)piperidine | 4-[(Phenylmethoxy)methyl]piperidine | MLS001208741 | SCHEMBL5717245 | CHEMBL1464627 | HMS2817O19 | MFCD0764

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528759900

Kanonisches Lächeln

C1CNCCC1COCC2=CC=CC=C2

IUPAC Name

4-(phenylmethoxymethyl)piperidine

InChIKey

SOELBQXHXWNGLK-UHFFFAOYSA-N

INCHI

1S/C13H19NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h1-5,13-14H,6-11H2

Isomere SMILES

C1CNCCC1COCC2=CC=CC=C2

Molekulargewicht

205.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Piperidines Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Piperidine - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 205.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 205.147 Da
• Monoisotopic Mass: 205.147 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 160.000
• 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