1-(2-Pyridyl)piperazine - ≥97% , CAS No.34803-66-2

CAS: 34803-66-2 Cat. No.: P106881 Molecular Weight: 163.22 Beilstein Registry Number: 140423 EC Number: 252-220-3

GRADE & PURITY ≥97%

Synonyms

GO-787 | HY-W001990 | 1-(2-Pyridyl) piperizine | pyridyl piperazine | 1-(pyridin-2-yl)piperazine | 1-(pyridin-2-yl)-piperazine | 2-(1-Piperazinyl)pyridine | 2-(Piperazin-1-yl)pyridine | N-(pyridin-2-yl)piperazine | 4-(2-piperidin-1-ylethoxy)benzoic acid;h

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1-(2-Pyridyl)piperazine is a piperazine derivative.
1-(2-Pyridyl)piperazine may be employed as reagent for the determination of both aliphatic and aromatic isocyanates in air by reversed-phase HPLC., It may be employed as reagent for the fluorometric determination of airborne diisocyantes.

Specifications

Synonyms

GO-787 | HY-W001990 | 1-(2-Pyridyl) piperizine | pyridyl piperazine | 1-(pyridin-2-yl)piperazine | 1-(pyridin-2-yl)-piperazine | 2-(1-Piperazinyl)pyridine | 2-(Piperazin-1-yl)pyridine | N-(pyridin-2-yl)piperazine | 4-(2-piperidin-1-ylethoxy)benzoic acid;h

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488186839
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186839
• Canonical Smiles: C1CN(CCN1)C2=CC=CC=N2
• IUPAC Name: 1-pyridin-2-ylpiperazine
• InChIKey: GZRKXKUVVPSREJ-UHFFFAOYSA-N
• INCHI: 1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
• Isomeric SMILES: C1CN(CCN1)C2=CC=CC=N2
• WGK Germany: 3
• Molecular Weight: 163.22
• Beilstein: 140423
• Reaxy-Rn: 140423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=140423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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)

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

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PLD1 Tchem Phospholipase D1 (469 Activities)

Discover Target: PLD1

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GBM (188 Activities)

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HCT-116 (91556 Activities)

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Associated Targets(non-human)

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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Adra2c Adrenergic receptor alpha-2 (3313 Activities)

Discover Target: Adra2c

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Adra1b Adrenergic receptor alpha (950 Activities)

Discover Target: Adra1b

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ADRA2A Cerebral cortex alpha adrenergic receptor (44 Activities)

Discover Target: ADRA2A

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Chloroform, Methanol.
• Sensitivity: air sensitive
• Refractive Index: 1.593-1.595
• Flash Point(°F): 230 °F
• Flash Point(°C): >110℃
• Boil Point(°C): 120-122 °C
• Molecular Weight: 163.220 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.111 Da
• Monoisotopic Mass: 163.111 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 132.000
• 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

References

1. Jindong Cao, Kunjie Liu, Mingzhen Quan, An Hou, Xingxing Jiang, Zheshuai Lin, Jing Zhao, Quanlin Liu.  (2023)  Second harmonic generation from symmetry breaking stimulated by mixed organic cations in zero-dimensional hybrid metal halides.  DALTON TRANSACTIONS,  52  (27): (9368-9376).  [PMID:37357846] [10.1039/D3DT01209C]