5-chloro-2-(piperidin-4-yloxy)pyridine hydrochloride

• ChemBase ID: 246924
• Molecular Formular: C10H14Cl2N2O
• Molecular Mass: 249.13696
• Monoisotopic Mass: 248.04831844
• SMILES: n1c(OC2CCNCC2)ccc(c1)Cl.Cl
• Canonical SMILES: Clc1ccc(nc1)OC1CCNCC1.Cl
• InChI: InChI=1S/C10H13ClN2O.ClH/c11-8-1-2-10(13-7-8)14-9-3-5-12-6-4-9;/h1-2,7,9,12H,3-6H2;1H
• InChIKey: HDYGGSQJULPFPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-(piperidin-4-yloxy)pyridine hydrochloride
• IUPAC Traditional name: 5-chloro-2-(piperidin-4-yloxy)pyridine hydrochloride
• Synonyms: 5-chloro-2-(piperidin-4-yloxy)pyridine hydrochloride

Database IDs

• PubChem SID: 164302834
• PubChem CID: 23133437

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7672397
• LogD (pH = 7.4): -0.9228424
• Log P: 1.4401625
• Molar Refractivity: 55.639 cm^3
• Polarizability: 22.00127 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 177 - 179°C
• Hydrophobicity(logP): 1.831

Product Information

• Purity: 95%