2-methyl-5-(piperidin-3-yloxy)pyridine dihydrochloride

• ChemBase ID: 20903
• Molecular Formular: C11H18Cl2N2O
• Molecular Mass: 265.17942
• Monoisotopic Mass: 264.07961857
• SMILES: n1c(ccc(OC2CNCCC2)c1)C.Cl.Cl
• Canonical SMILES: Cc1ccc(cn1)OC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C11H16N2O.2ClH/c1-9-4-5-11(8-13-9)14-10-3-2-6-12-7-10;;/h4-5,8,10,12H,2-3,6-7H2,1H3;2*1H
• InChIKey: YOUIAFGRQOZUNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(piperidin-3-yloxy)pyridine dihydrochloride
• IUPAC Traditional name: 2-methyl-5-(piperidin-3-yloxy)pyridine dihydrochloride
• Synonyms: 6-Methyl-3-pyridinyl 3-piperidinyl ether dihydrochloride

Database IDs

• MDL Number: MFCD16613949
• PubChem SID: 160984210
• PubChem CID: 53397574

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5189764
• LogD (pH = 7.4): -1.1915467
• Log P: 0.8304334
• Molar Refractivity: 54.8914 cm^3
• Polarizability: 21.876608 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false