3-(methoxymethyl)piperidine hydrochloride

• ChemBase ID: 15424
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: N1CC(COC)CCC1.Cl
• Canonical SMILES: COCC1CCCNC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: VZQSCPYVOXUZJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(methoxymethyl)piperidine hydrochloride
• Synonyms: 3-(Methoxymethyl)piperidine hydrochloride

Database IDs

• CAS Number: 688809-97-4
• MDL Number: MFCD08166754
• PubChem SID: 160978731
• PubChem CID: 17178052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9587674
• LogD (pH = 7.4): -2.443834
• Log P: 0.2704651
• Molar Refractivity: 37.8881 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): 0.183

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%