1-(2,2-diethoxyethyl)piperidin-4-ol

• ChemBase ID: 241075
• Molecular Formular: C11H23NO3
• Molecular Mass: 217.30522
• Monoisotopic Mass: 217.1677936
• SMILES: N1(CC(OCC)OCC)CCC(CC1)O
• Canonical SMILES: CCOC(CN1CCC(CC1)O)OCC
• InChI: InChI=1S/C11H23NO3/c1-3-14-11(15-4-2)9-12-7-5-10(13)6-8-12/h10-11,13H,3-9H2,1-2H3
• InChIKey: PJZOKZIXTHKWCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18848446
• PubChem SID: 164296985
• PubChem CID: 63617659

CALCULATED PROPERTIES

• Acid pKa: 15.17928
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2075408
• LogD (pH = 7.4): -0.43360704
• Log P: 0.453772
• Molar Refractivity: 60.0342 cm^3
• Polarizability: 23.800394 Å^3
• Polar Surface Area: 41.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.072

Product Information

• Purity: 95%