1-(pyridin-2-yl)piperazine

• ChemBase ID: 91267
• Molecular Formular: C9H13N3
• Molecular Mass: 163.21962
• Monoisotopic Mass: 163.11094743
• SMILES: N1(c2ccccn2)CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
• InChIKey: GZRKXKUVVPSREJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)piperazine
• IUPAC Traditional name: pyridinylpiperazine
• Synonyms: 2-Piperazinopyridine; 1-(2-Pyridyl)piperazine; Pyridinylpiperazine; 2-(Piperazin-1-yl)pyridine; 1-(Pyridin-2-yl)piperazine 98%; 2-(1-Piperazinyl)pyridine; 1-(Pyridin-2-yl)piperazine; 2-Pyridylpiperazine; 4-(2-Pyridinyl)piperazine; 4-(2-Pyridyl)piperazine; N-(2-Pyridyl)piperazine; N-Pyridin-2-ylpiperazine; NSC 137781; NSC 26624; 1-(2-Pyridyl)piperazine; 1-pyridin-2-ylpiperazine; 1-(Pyridin-2-yl)piperazine; 2-哌嗪吡啶; 1-(2-吡啶基)哌嗪

Database IDs

• CAS Number: 34803-66-2; 129394-11-2
• EC Number: 252-220-3
• MDL Number: MFCD00006216
• Beilstein Number: 140423
• PubChem SID: 162077971; 24849108; 24865508
• PubChem CID: 94459
• CHEMBL: 18094
• Chemspider ID: 85244
• Wikipedia Title: Pyridinylpiperazine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0973194
• LogD (pH = 7.4): -0.48023257
• Log P: 0.92214644
• Molar Refractivity: 49.3986 cm^3
• Polarizability: 18.734665 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Clear Colourless Oil
• Boiling Point: 120-122 °C/2 mmHg(lit.); 120-122°C/2mm; 120-122°C/2mm
• Flash Point: >110°C; >110°C(230°F); 110 °C; 230 °F
• Density: 1.072; 1.072 g/mL at 25 °C(lit.)
• Refractive Index: 1.595; 1.5950; n20/D 1.595(lit.)

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Air Sensitive; Irritant/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.5%; 98%; 99%
• Empirical Formula (Hill Notation): C9H13N3

DETAILS

Sigma Aldrich - 151270

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 408166

Packaging
5, 25 mL in glass bottle

Toronto Research Chemicals - P995725

1-(2-Pyridyl)piperazine is a compound that belongs to a class of selective α2-adrenoceptor antagonists. 1-(2-Pyridyl)piperazine shows sympatholytic activity. 1-(2-Pyridyl)piperazine is also a metabolite of Azaperone (A802200).

REFERENCES

• Saari, W.S. et al.: J. Med. Chem., 26, 1696 (1983)
• Caccia, S. et al.: J. Chrom., 283, 211 (1983)