1-(2-methoxyphenyl)piperazine

• ChemBase ID: 32151
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: N1(CCNCC1)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1N1CCNCC1
• InChI: InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
• InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)piperazine
• IUPAC Traditional name: 1-(2-methoxyphenyl)piperazine
• Synonyms: 1-(o-METHOXYPHENYL)PIPERAZINE; 1-(2-Methoxyphenyl)-piperazine; 1-(o-Methoxyphenyl)-piperazine; 1-(2-Methoxyphenyl)piperazine; 1-(o-Anisyl)piperazine; 1-(o-Methoxyphenyl)piperazine; 1-[2-(Methyloxy)phenyl]piperazine; D 15157; N-(2-Methoxyphenyl)piperazine; N-(o-Methoxyphenyl)piperazine; o-Methoxyphenylpiperazine; 1-(2-Methoxyphenyl)piperazine; 2-MPP; 1-(2-METHOXYPHENYL) PIPERAZINE; 1-(2-Methoxyphenyl)piperazine; 1-(2-甲氧苯基)哌嗪

Database IDs

• CAS Number: 5464-78-8; 35386-24-4
• EC Number: 226-762-6; 252-537-7
• MDL Number: MFCD00005958
• Beilstein Number: 167888
• PubChem SID: 24896714; 160995458; 24883872
• PubChem CID: 1346

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6008211
• LogD (pH = 7.4): -0.06333706
• Log P: 1.3876901
• Molar Refractivity: 57.7052 cm^3
• Polarizability: 22.153334 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Colourless to Pale Yellow Oil
• Melting Point: 217 - 219°C; 35-39°C; 35-40 °C(lit.); 37-40°C
• Boiling Point: 110-112°C/1mm; 130-133 °C/0.1 mmHg(lit.); 130-133°C/0.1mm
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.095 g/mL at 25 °C(lit.); 1.106
• Refractive Index: n20/D 1.575(lit.); n20/D 1.576
• Hydrophobicity(logP): 1.104

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C)
• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 3263; UN2923
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 25-34; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 3

Pharmacology Properties

• Gene Information: mouse ... Htr3a(15561)rat ... Adra1a(29412), Drd2(24318), Htr1a(24473), Htr2a(29595), Htr7(65032)

Product Information

• Purity: ≥97.0% (NT); 95%; 97%; 98%; 98-99%
• Grade: purum
• Impurities: ≤3% water
• Empirical Formula (Hill Notation): C11H16N2O

DETAILS

MP Biomedicals - 05212491

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151629

Hydrochloride
Selective 5-HT1 receptor agonist
Crystalline
Purity: 98-99%

Sigma Aldrich - M22601

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 65225

Caution
may solidify at room temperature

Toronto Research Chemicals - M266220

A piperazine derivative and a selective antagonist at D3 receptors that influences the expression of cocaine-induced conditioned place preference (CPP).

REFERENCES

• Byrska, B. et al.: Zagadnien Nauk Sadowych 81, 101 (2010)
• Cervo, L. et al.: Pharmacol Biochem Be 82, 727 (2005)