[1-(2-methoxyethyl)piperidin-3-yl]methanol

• ChemBase ID: 58144
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: C1CN(CC(C1)CO)CCOC
• Canonical SMILES: COCCN1CCCC(C1)CO
• InChI: InChI=1S/C9H19NO2/c1-12-6-5-10-4-2-3-9(7-10)8-11/h9,11H,2-8H2,1H3
• InChIKey: WQIIVOMLZRWTBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyethyl)piperidin-3-yl]methanol
• IUPAC Traditional name: [1-(2-methoxyethyl)piperidin-3-yl]methanol
• Synonyms: [1-(2-Methoxyethyl)piperidin-3-yl]methanol

Database IDs

• CAS Number: 915921-51-6
• MDL Number: MFCD08691505
• PubChem SID: 162062907
• PubChem CID: 45791056

CALCULATED PROPERTIES

• Acid pKa: 15.431462
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3015575
• LogD (pH = 7.4): -1.7785901
• Log P: -0.036588974
• Molar Refractivity: 49.4751 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