2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase ID: 246981
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: n1c(OC2CCNCC2)cccc1C.Cl.Cl
• Canonical SMILES: Cc1cccc(n1)OC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-9-3-2-4-11(13-9)14-10-5-7-12-8-6-10;;/h2-4,10,12H,5-8H2,1H3;2*1H
• InChIKey: RHCBCXQCATYEFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
• IUPAC Traditional name: 2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride
• Synonyms: 2-methyl-6-(piperidin-4-yloxy)pyridine dihydrochloride

Database IDs

• PubChem SID: 164302891
• PubChem CID: 22499431

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.245964
• LogD (pH = 7.4): -1.3955936
• Log P: 0.967488
• Molar Refractivity: 55.4257 cm^3
• Polarizability: 21.880117 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 1.576

Product Information

• Purity: 95%