4-(2-methoxyethyl)piperidine hydrochloride

• ChemBase ID: 21150
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N1CCC(CCOC)CC1.Cl
• Canonical SMILES: COCCC1CCNCC1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-10-7-4-8-2-5-9-6-3-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: LMGSBYGUGOVCNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyethyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(2-methoxyethyl)piperidine hydrochloride
• Synonyms: 4-(2-Methoxyethyl)piperidine hydrochloride

Database IDs

• CAS Number: 868849-54-1
• MDL Number: MFCD10687230
• PubChem SID: 160984457
• PubChem CID: 23091644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6360624
• LogD (pH = 7.4): -2.1796725
• Log P: 0.5955233
• Molar Refractivity: 42.6649 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false