4-(piperidin-3-yloxy)pyridine dihydrochloride

• ChemBase ID: 76420
• Molecular Formular: C10H16Cl2N2O
• Molecular Mass: 251.15284
• Monoisotopic Mass: 250.0639685
• SMILES: N1CCCC(C1)Oc1ccncc1.Cl.Cl
• Canonical SMILES: C1CCC(CN1)Oc1ccncc1.Cl.Cl
• InChI: InChI=1S/C10H14N2O.2ClH/c1-2-10(8-12-5-1)13-9-3-6-11-7-4-9;;/h3-4,6-7,10,12H,1-2,5,8H2;2*1H
• InChIKey: AQRGUPOIHWGEAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-3-yloxy)pyridine dihydrochloride
• IUPAC Traditional name: 4-(piperidin-3-yloxy)pyridine dihydrochloride
• Synonyms: 3-[(Pyridin-4-yl)oxy]piperidine dihydrochloride; Piperidin-3-yl pyridin-4-yl ether dihydrochloride; 4-[(Piperidin-3-yl)oxy]pyridine dihydrochloride

Database IDs

• MDL Number: MFCD04117748
• PubChem SID: 162041325
• PubChem CID: 17998834

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1603549
• LogD (pH = 7.4): -1.3606545
• Log P: 0.69906324
• Molar Refractivity: 50.2999 cm^3
• Polarizability: 20.10774 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon