3-(piperidin-4-yloxy)pyridine hydrochloride

• ChemBase ID: 47288
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: N1CCC(Oc2cnccc2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)Oc1cccnc1.Cl
• InChI: InChI=1S/C10H14N2O.ClH/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;1H
• InChIKey: IJIBPCKIYZVGJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperidin-4-yloxy)pyridine hydrochloride
• IUPAC Traditional name: 3-(piperidin-4-yloxy)pyridine hydrochloride
• Synonyms: 3-(4-Piperidinyloxy)pyridine hydrochloride

Database IDs

• MDL Number: MFCD13561160
• PubChem SID: 162052051
• PubChem CID: 53409329

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