2-[2-(2-methoxyethoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46325
• Molecular Formular: C10H22ClNO2
• Molecular Mass: 223.74018
• Monoisotopic Mass: 223.13390663
• SMILES: N1C(CCOCCOC)CCCC1.Cl
• Canonical SMILES: COCCOCCC1CCCCN1.Cl
• InChI: InChI=1S/C10H21NO2.ClH/c1-12-8-9-13-7-5-10-4-2-3-6-11-10;/h10-11H,2-9H2,1H3;1H
• InChIKey: QVMOLJVUDPCAMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methoxyethoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 2-[2-(2-methoxyethoxy)ethyl]piperidine hydrochloride
• Synonyms: 2-[2-(2-Methoxyethoxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560212
• PubChem SID: 162051088
• PubChem CID: 56829879

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5483015
• LogD (pH = 7.4): -2.0913587
• Log P: 0.6832635
• Molar Refractivity: 53.458 cm^3
• Polarizability: 21.329054 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false