4-(methoxymethyl)piperidine

• ChemBase ID: 115864
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CCC(COC)CC1
• Canonical SMILES: COCC1CCNCC1
• InChI: InChI=1S/C7H15NO/c1-9-6-7-2-4-8-5-3-7/h7-8H,2-6H2,1H3
• InChIKey: IHJDIDHHEBJPDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)piperidine
• IUPAC Traditional name: 4-(methoxymethyl)piperidine
• Synonyms: 4-(methoxymethyl)piperidine hydrochloride; 4-(methoxymethyl)piperidine

Database IDs

• CAS Number: 399580-55-3
• MDL Number: MFCD06248041; MFCD08062602
• PubChem SID: 162100702
• PubChem CID: 4715283

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0025132
• LogD (pH = 7.4): -2.5417588
• Log P: 0.22890837
• Molar Refractivity: 37.9869 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

• Partition Coefficient: 0.636

Product Information

• Purity: 95+%
• Salt Data: HCl