3-(piperidin-3-ylmethoxy)pyridine hydrochloride

• ChemBase ID: 47289
• Molecular Formular: C11H17ClN2O
• Molecular Mass: 228.71848
• Monoisotopic Mass: 228.10294085
• SMILES: N1CC(COc2cnccc2)CCC1.Cl
• Canonical SMILES: C1CCC(CN1)COc1cccnc1.Cl
• InChI: InChI=1S/C11H16N2O.ClH/c1-3-10(7-12-5-1)9-14-11-4-2-6-13-8-11;/h2,4,6,8,10,12H,1,3,5,7,9H2;1H
• InChIKey: IDUBZBANCYONGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-3-ylmethoxy)pyridine hydrochloride
• IUPAC Traditional name: 3-(piperidin-3-ylmethoxy)pyridine hydrochloride
• Synonyms: 3-[(3-Pyridinyloxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561161
• PubChem SID: 162052052
• PubChem CID: 53409422

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5477982
• LogD (pH = 7.4): -1.8214523
• Log P: 0.7438178
• Molar Refractivity: 55.2399 cm^3
• Polarizability: 21.95448 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false