1-(3-methoxypyridin-2-yl)piperazine dihydrochloride

• ChemBase ID: 244443
• Molecular Formular: C10H17Cl2N3O
• Molecular Mass: 266.16748
• Monoisotopic Mass: 265.07486754
• SMILES: c1(N2CCNCC2)ncccc1OC.Cl.Cl
• Canonical SMILES: COc1cccnc1N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H15N3O.2ClH/c1-14-9-3-2-4-12-10(9)13-7-5-11-6-8-13;;/h2-4,11H,5-8H2,1H3;2*1H
• InChIKey: XUIKTDZQHPBVKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypyridin-2-yl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(3-methoxypyridin-2-yl)piperazine dihydrochloride
• Synonyms: 1-(3-methoxypyridin-2-yl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD08752611
• PubChem SID: 164300353
• PubChem CID: 53407115

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2120314
• LogD (pH = 7.4): -0.5992837
• Log P: 0.76447517
• Molar Refractivity: 55.8618 cm^3
• Polarizability: 21.251541 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.057

Product Information

• Purity: 95%