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

• ChemBase ID: 270795
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(N2CCNCC2)cc(ccn1)OC
• Canonical SMILES: COc1ccnc(c1)N1CCNCC1
• InChI: InChI=1S/C10H15N3O/c1-14-9-2-3-12-10(8-9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
• InChIKey: GGFWCDNEFMGGMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxypyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(4-methoxypyridin-2-yl)piperazine
• Synonyms: 1-(4-methoxypyridin-2-yl)piperazine; 1-(4-METHOXY-PYRIDIN-2-YL)-PIPERAZINE

Database IDs

• CAS Number: 444666-41-5
• MDL Number: MFCD06738951
• PubChem SID: 164326705
• PubChem CID: 22648132

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7725377
• LogD (pH = 7.4): -0.63991827
• Log P: 0.76447517
• Molar Refractivity: 55.8618 cm^3
• Polarizability: 21.247364 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36 - 38°C
• Hydrophobicity(logP): 1.057

Product Information

• Purity: 95%; 98%