4-(methoxymethyl)piperidin-4-ol

• ChemBase ID: 243935
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C1(CCNCC1)(O)COC
• Canonical SMILES: COCC1(O)CCNCC1
• InChI: InChI=1S/C7H15NO2/c1-10-6-7(9)2-4-8-5-3-7/h8-9H,2-6H2,1H3
• InChIKey: YHBKECYKQMGJMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)piperidin-4-ol
• IUPAC Traditional name: 4-(methoxymethyl)piperidin-4-ol
• Synonyms: 4-(methoxymethyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD19226245
• PubChem SID: 164299845
• PubChem CID: 55300261

CALCULATED PROPERTIES

• Acid pKa: 13.937834
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.195115
• LogD (pH = 7.4): -3.257048
• Log P: -0.99802566
• Molar Refractivity: 39.3508 cm^3
• Polarizability: 15.740703 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54 - 56°C
• Hydrophobicity(logP): -1.004

Product Information

• Purity: 95%