5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase ID: 247049
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: n1c(OC2CCNCC2)ccc(c1)C.Cl.Cl
• Canonical SMILES: Cc1ccc(nc1)OC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-9-2-3-11(13-8-9)14-10-4-6-12-7-5-10;;/h2-3,8,10,12H,4-7H2,1H3;2*1H
• InChIKey: ANJOBTONXYHJLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride
• IUPAC Traditional name: 5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride
• Synonyms: 5-methyl-2-(piperidin-4-yloxy)pyridine dihydrochloride

Database IDs

• PubChem SID: 164302959
• PubChem CID: 69411512

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8605598
• LogD (pH = 7.4): -1.0134997
• Log P: 1.3495393
• Molar Refractivity: 55.8754 cm^3
• Polarizability: 21.879297 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 1.576

Product Information

• Purity: 95%