3-(piperidin-4-yloxy)pyridine

• ChemBase ID: 19052
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1CCC(Oc2cnccc2)CC1
• Canonical SMILES: N1CCC(CC1)Oc1cccnc1
• InChI: InChI=1S/C10H14N2O/c1-2-10(8-12-5-1)13-9-3-6-11-7-4-9/h1-2,5,8-9,11H,3-4,6-7H2
• InChIKey: URPWHVAXGCXZOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yloxy)pyridine
• IUPAC Traditional name: 3-(piperidin-4-yloxy)pyridine
• Synonyms: 3-(4-piperidinyloxy)pyridine; 3-(Piperidin-4-yloxy)pyridine; 3-(Piperidin-4-yloxy)-pyridine

Database IDs

• CAS Number: 310881-48-2
• MDL Number: MFCD08059774
• PubChem SID: 160982359
• PubChem CID: 12112232

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0339794
• LogD (pH = 7.4): -2.1223667
• Log P: 0.24166031
• Molar Refractivity: 50.5207 cm^3
• Polarizability: 20.111122 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%