2-chloro-4-[(1-methylpiperidin-4-yl)oxy]pyridine

• ChemBase ID: 243606
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: c1c(nccc1OC1CCN(CC1)C)Cl
• Canonical SMILES: CN1CCC(CC1)Oc1ccnc(c1)Cl
• InChI: InChI=1S/C11H15ClN2O/c1-14-6-3-9(4-7-14)15-10-2-5-13-11(12)8-10/h2,5,8-9H,3-4,6-7H2,1H3
• InChIKey: XYSORHCTKOJKOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-[(1-methylpiperidin-4-yl)oxy]pyridine
• IUPAC Traditional name: 2-chloro-4-[(1-methylpiperidin-4-yl)oxy]pyridine
• Synonyms: 2-chloro-4-[(1-methylpiperidin-4-yl)oxy]pyridine

Database IDs

• MDL Number: MFCD18885904
• PubChem SID: 164299516
• PubChem CID: 58483104

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3928293
• LogD (pH = 7.4): 0.36518067
• Log P: 1.4489301
• Molar Refractivity: 61.6815 cm^3
• Polarizability: 23.888132 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.877

Product Information

• Purity: 95%