2-(piperidin-4-ylmethoxy)pyridine dihydrochloride

• ChemBase ID: 279184
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: n1c(OCC2CCNCC2)cccc1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)COc1ccccn1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-2-6-13-11(3-1)14-9-10-4-7-12-8-5-10;;/h1-3,6,10,12H,4-5,7-9H2;2*1H
• InChIKey: JJWGCSFOPSRYNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-ylmethoxy)pyridine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-4-ylmethoxy)pyridine dihydrochloride
• Synonyms: 2-(piperidin-4-ylmethoxy)pyridine dihydrochloride

Database IDs

• MDL Number: MFCD20233616
• PubChem SID: 164335094
• PubChem CID: 54595181

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9358056
• LogD (pH = 7.4): -1.473945
• Log P: 1.2967186
• Molar Refractivity: 55.6522 cm^3
• Polarizability: 21.95742 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 1.696

Product Information

• Purity: 95%