4-[(2-methoxyethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 20736
• Molecular Formular: C9H20ClNO2
• Molecular Mass: 209.7136
• Monoisotopic Mass: 209.11825657
• SMILES: N1CCC(COCCOC)CC1.Cl
• Canonical SMILES: COCCOCC1CCNCC1.Cl
• InChI: InChI=1S/C9H19NO2.ClH/c1-11-6-7-12-8-9-2-4-10-5-3-9;/h9-10H,2-8H2,1H3;1H
• InChIKey: VSDDNNFKIUVBDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methoxyethoxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[(2-methoxyethoxy)methyl]piperidine hydrochloride
• Synonyms: 4-[(2-Methoxyethoxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD12405033
• PubChem SID: 160984043
• PubChem CID: 46735624

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0494885
• LogD (pH = 7.4): -2.5887341
• Log P: 0.18193287
• Molar Refractivity: 49.0304 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false