2-(2-methoxyethyl)piperidin-3-ol hydrochloride

• ChemBase ID: 806340
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: Cl.C1CCNC(C1O)CCOC
• Canonical SMILES: COCCC1NCCCC1O.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-11-6-4-7-8(10)3-2-5-9-7;/h7-10H,2-6H2,1H3;1H
• InChIKey: OOEZIZNQWXFTNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)piperidin-3-ol hydrochloride
• IUPAC Traditional name: 2-(2-methoxyethyl)piperidin-3-ol hydrochloride
• Synonyms: 3-HYDROXY-2-(2-METHOXYETHYL)-PIPERIDINE HYDROCHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 14.598159
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.54762
• LogD (pH = 7.4): -2.6600888
• Log P: -0.34466463
• Molar Refractivity: 43.776 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%