3-(ethoxymethyl)piperidine hydrochloride

• ChemBase ID: 15415
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: N1CC(COCC)CCC1.Cl
• Canonical SMILES: CCOCC1CCCNC1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-2-10-7-8-4-3-5-9-6-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: RGZVFOCXALLSEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(ethoxymethyl)piperidine hydrochloride
• IUPAC Traditional name: 3-(ethoxymethyl)piperidine hydrochloride
• Synonyms: 3-(Ethoxymethyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD08166752
• PubChem SID: 160978722
• PubChem CID: 17178071

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6019592
• LogD (pH = 7.4): -2.0870187
• Log P: 0.6272731
• Molar Refractivity: 42.6367 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Hydrophobicity(logP): 0.572

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%