2-chloro-6-(piperidin-4-yloxy)pyridine

• ChemBase ID: 812024
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: n1c(cccc1OC1CCNCC1)Cl
• Canonical SMILES: Clc1cccc(n1)OC1CCNCC1
• InChI: InChI=1S/C10H13ClN2O/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
• InChIKey: KUKRKVHPRGTMKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(piperidin-4-yloxy)pyridine
• IUPAC Traditional name: 2-chloro-6-(piperidin-4-yloxy)pyridine
• Synonyms: 2-CHLORO-6-(PIPERIDIN-4-YLOXY)-PYRIDINE

Database IDs

• CAS Number: 99202-32-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5470524
• LogD (pH = 7.4): -0.7026651
• Log P: 1.6603397
• Molar Refractivity: 56.7003 cm^3
• Polarizability: 22.056877 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%