1-(2-methoxypyridin-4-yl)piperazine

• ChemBase ID: 813748
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C1CNCCN1c1cc(ncc1)OC
• Canonical SMILES: COc1nccc(c1)N1CCNCC1
• InChI: InChI=1S/C10H15N3O/c1-14-10-8-9(2-3-12-10)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
• InChIKey: HHRXXQJHVVVCMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxypyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(2-methoxypyridin-4-yl)piperazine
• Synonyms: 1-(2-methoxypyridin-4-yl)piperazine

Database IDs

• CAS Number: 1060816-41-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1484022
• LogD (pH = 7.4): -0.73630774
• Log P: 0.76447517
• Molar Refractivity: 55.8618 cm^3
• Polarizability: 21.249071 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%