1-(2-methoxyethyl)piperidin-4-ol

• ChemBase ID: 242557
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(CCC(CC1)O)CCOC
• Canonical SMILES: COCCN1CCC(CC1)O
• InChI: InChI=1S/C8H17NO2/c1-11-7-6-9-4-2-8(10)3-5-9/h8,10H,2-7H2,1H3
• InChIKey: AIWUZVDERRAYFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)piperidin-4-ol
• IUPAC Traditional name: 1-(2-methoxyethyl)piperidin-4-ol
• Synonyms: 1-(2-methoxyethyl)piperidin-4-ol

Database IDs

• MDL Number: MFCD13178921
• PubChem SID: 164298467
• PubChem CID: 21353752

CALCULATED PROPERTIES

• Acid pKa: 15.179285
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5986502
• LogD (pH = 7.4): -1.9090356
• Log P: -0.5387465
• Molar Refractivity: 44.7559 cm^3
• Polarizability: 17.57783 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.523

Product Information

• Purity: 95%