4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)benzamide dihydrochloride

• ChemBase ID: 132947
• Molecular Formular: C25H29Cl2FN4O2
• Molecular Mass: 507.4277632
• Monoisotopic Mass: 506.16515977
• SMILES: COc1ccccc1N1CCN(CC1)CCN(c1ccccn1)C(=O)c1ccc(cc1)F.Cl.Cl
• Canonical SMILES: COc1ccccc1N1CCN(CC1)CCN(C(=O)c1ccc(cc1)F)c1ccccn1.Cl.Cl
• InChI: InChI=1S/C25H27FN4O2.2ClH/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20;;/h2-13H,14-19H2,1H3;2*1H
• InChIKey: TZOICBMBENXHNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)benzamide dihydrochloride
• IUPAC Traditional name: MPPF dihydrochloride
• Synonyms: 4-Fluoro-N-(2-[4-(2-methoxyphenyl)1-piperazinyl]ethyl)-N-(2-pyridinyl)benzamide dihydrochloride; p-MPPF dihydrochloride

Database IDs

• MDL Number: MFCD01321045
• PubChem SID: 162227224; 24278581
• PubChem CID: 11957633

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8806622
• LogD (pH = 7.4): 3.978538
• Log P: 4.047897
• Molar Refractivity: 124.1113 cm^3
• Polarizability: 46.79169 Å^3
• Polar Surface Area: 48.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: ethanol: soluble15 mg/mL; H2O: soluble19 mg/mL
• Apperance: white solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... HTR1A(3350)

DETAILS

Sigma Aldrich - M226

Biochem/physiol Actions
Selective 5-HT1A serotonin receptor antagonist. More potent than p-MPPI.
Caution
Hygroscopic
Legal Information
Manufactured and sold under license from the University of Pennsylvania, U.S. Patent 5,744,121.