2-(piperidin-4-yloxy)pyridine

• ChemBase ID: 30656
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: c1(ncccc1)OC1CCNCC1
• Canonical SMILES: N1CCC(CC1)Oc1ccccn1
• InChI: InChI=1S/C10H14N2O/c1-2-6-12-10(3-1)13-9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2
• InChIKey: XORIOVHPKOZEMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yloxy)pyridine
• IUPAC Traditional name: 2-(piperidin-4-yloxy)pyridine
• Synonyms: 2-(4-piperidinyloxy)pyridine; 2-(Piperidin-4-yloxy)-pyridine

Database IDs

• CAS Number: 127806-46-6
• MDL Number: MFCD11053197
• PubChem SID: 160993963
• PubChem CID: 4522447

CALCULATED PROPERTIES

• LogD (pH = 7.4): -1.5268998
• Log P: 0.83611786
• Molar Refractivity: 50.8342 cm^3
• Polarizability: 20.114086 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3722923

PROPERTIES

Physical Property

• Melting Point: LMS °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >90%