4-(2-Aminoethyl)-1-benzylpiperidine - ≥98%(GC)(T) , CAS No.86945-25-7

CAS: 86945-25-7 Cat. No.: A151606 Molecular Weight: 218.34 EC Number: 677-068-9

GRADE & PURITY ≥98%(GC)(T)

Synonyms

2-(1-Benzyl-4-piperidyl)ethylamine | 2-(1-benzyl-4-piperidyl)ethanamine | 2-(1-Benzyl-4-piperidinyl)ethanamine, AldrichCPR | 2-(1-benzyl-4-piperidinyl)ethanamine | 2-(1-Benzyl-piperidin-4-yl)-ethylamine | 2-(1-benzylpiperidin-4-yl)ethylamine | 2-(1-benzyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-(1-Benzyl-4-piperidyl)ethylamine | 2-(1-benzyl-4-piperidyl)ethanamine | 2-(1-Benzyl-4-piperidinyl)ethanamine, AldrichCPR | 2-(1-benzyl-4-piperidinyl)ethanamine | 2-(1-Benzyl-piperidin-4-yl)-ethylamine | 2-(1-benzylpiperidin-4-yl)ethylamine | 2-(1-benzyl

Specifications & Purity

≥98%(GC)(T)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488192016
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192016
• Canonical Smiles: C1CN(CCC1CCN)CC2=CC=CC=C2
• IUPAC Name: 2-(1-benzylpiperidin-4-yl)ethanamine
• InChIKey: OUYRPOHWEJUTCQ-UHFFFAOYSA-N
• INCHI: 1S/C14H22N2/c15-9-6-13-7-10-16(11-8-13)12-14-4-2-1-3-5-14/h1-5,13H,6-12,15H2
• Isomeric SMILES: C1CN(CCC1CCN)CC2=CC=CC=C2
• Molecular Weight: 218.34
• Reaxy-Rn: 3609767
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3609767&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Associated Targets(non-human)

TPR Trypanothione reductase (189 Activities)

Discover Target: TPR

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive;Light sensitive
• Refractive Index: 1.53
• Flash Point(°C): 136 °C
• Molecular Weight: 218.340 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 218.178 Da
• Monoisotopic Mass: 218.178 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 179.000
• 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