[1-(2-methoxyethyl)piperidin-4-yl]methanol

• ChemBase ID: 58143
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: C1CN(CCC1CO)CCOC
• Canonical SMILES: OCC1CCN(CC1)CCOC
• InChI: InChI=1S/C9H19NO2/c1-12-7-6-10-4-2-9(8-11)3-5-10/h9,11H,2-8H2,1H3
• InChIKey: PTNHYVCQMCBKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(2-methoxyethyl)piperidin-4-yl]methanol
• Synonyms: [1-(2-Methoxyethyl)piperidin-4-yl]methanol

Database IDs

• CAS Number: 915919-97-0
• MDL Number: MFCD08691502
• PubChem SID: 162062906
• PubChem CID: 28063614

CALCULATED PROPERTIES

• Acid pKa: 15.46719
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2360964
• LogD (pH = 7.4): -1.6065977
• Log P: -0.0781457
• Molar Refractivity: 49.5739 cm^3
• Polarizability: 19.416607 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false