2-(methoxymethyl)piperidine

• ChemBase ID: 15425
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(COC)CCCC1
• Canonical SMILES: COCC1CCCCN1
• InChI: InChI=1S/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3
• InChIKey: IBPHVNKZLOQXAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)piperidine
• IUPAC Traditional name: 2-(methoxymethyl)piperidine
• Synonyms: 2-(Methoxymethyl)piperidine

Database IDs

• CAS Number: 104678-13-9
• MDL Number: MFCD02663567
• PubChem SID: 160978732
• PubChem CID: 4090648

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5300472
• LogD (pH = 7.4): -1.619045
• Log P: 0.6702792
• Molar Refractivity: 37.5491 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false