2-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase ID: 76258
• Molecular Formular: C10H16Cl2N2O
• Molecular Mass: 251.15284
• Monoisotopic Mass: 250.0639685
• SMILES: n1c(cccc1)OC1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1ccccn1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
• InChIKey: XHUOAVVGHQRNSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)pyridine dihydrochloride
• IUPAC Traditional name: 2-(piperidin-4-yloxy)pyridine dihydrochloride
• Synonyms: 4-[(Pyridin-2-yl)oxy]piperidine dihydrochloride; 2-[(Piperidin-4-yl)oxy]pyridine dihydrochloride; 2-(piperidin-4-yloxy)pyridine dihydrochloride

Database IDs

• MDL Number: MFCD03840120
• PubChem SID: 162041165
• PubChem CID: 14674154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3722923
• LogD (pH = 7.4): -1.5268998
• Log P: 0.83611786
• Molar Refractivity: 50.8342 cm^3
• Polarizability: 20.114086 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 1.077

Safety Information

• Storage Warning: Harmful/Store under Argon

Product Information

• Purity: 95%