3-(piperidin-4-yloxy)pyridine dihydrochloride

• ChemBase ID: 24008
• Molecular Formular: C10H16Cl2N2O
• Molecular Mass: 251.15284
• Monoisotopic Mass: 250.0639685
• SMILES: C1(Oc2cccnc2)CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)Oc1cccnc1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/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;2*1H
• InChIKey: JWLSUMGJCALZFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08689439
• PubChem SID: 160987315
• PubChem CID: 22989727

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