3-(2-methoxyethyl)piperidine hydrochloride

• ChemBase ID: 21133
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N1CC(CCOC)CCC1.Cl
• Canonical SMILES: COCCC1CCCNC1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-10-6-4-8-3-2-5-9-7-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: LNEPGMBVTQYNPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(2-methoxyethyl)piperidine hydrochloride
• Synonyms: 3-(2-Methoxyethyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD11845785
• PubChem SID: 160984440
• PubChem CID: 23152715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5608454
• LogD (pH = 7.4): -2.1848025
• Log P: 0.67347705
• Molar Refractivity: 42.5879 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