2-(2-methoxyethyl)piperidine hydrochloride

• ChemBase ID: 21116
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N1C(CCOC)CCCC1.Cl
• Canonical SMILES: COCCC1CCCCN1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-10-7-5-8-4-2-3-6-9-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: DIFYKXCYHJPLLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 688809-94-1
• MDL Number: MFCD07368304
• PubChem SID: 160984423
• PubChem CID: 46735742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5013263
• LogD (pH = 7.4): -2.0443902
• Log P: 0.730239
• Molar Refractivity: 42.4145 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

Product Information

• Empirical Formula (Hill Notation): C8H18ClNO

DETAILS

Sigma Aldrich - CBR00752

Other Notes
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Legal Information
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