5-chloro-2-(piperidin-4-yloxy)pyridine

• ChemBase ID: 812007
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: n1c(ccc(c1)Cl)OC1CCNCC1
• Canonical SMILES: Clc1ccc(nc1)OC1CCNCC1
• InChI: InChI=1S/C10H13ClN2O/c11-8-1-2-10(13-7-8)14-9-3-5-12-6-4-9/h1-2,7,9,12H,3-6H2
• InChIKey: AMZYBOJPLHNYJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(piperidin-4-yloxy)pyridine
• IUPAC Traditional name: 5-chloro-2-(piperidin-4-yloxy)pyridine
• Synonyms: 2-(PIPERIDIN-4-YL-OXY)-5-CHLOROPYRIDINE

Database IDs

• CAS Number: 260441-44-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7672397
• LogD (pH = 7.4): -0.9228424
• Log P: 1.4401625
• Molar Refractivity: 55.639 cm^3
• Polarizability: 22.00127 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%