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

• ChemBase ID: 273912
• Molecular Formular: C8H17NO2
• Molecular Mass: 159.22608
• Monoisotopic Mass: 159.12592879
• SMILES: N1(CCC(CC1)O)CC(O)C
• Canonical SMILES: CC(CN1CCC(CC1)O)O
• InChI: InChI=1S/C8H17NO2/c1-7(10)6-9-4-2-8(11)3-5-9/h7-8,10-11H,2-6H2,1H3
• InChIKey: IEMAAESIMKGGCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12802195
• PubChem SID: 164329822
• PubChem CID: 54592969

CALCULATED PROPERTIES

• Acid pKa: 14.929066
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9792094
• LogD (pH = 7.4): -2.3982697
• Log P: -0.76529795
• Molar Refractivity: 44.4235 cm^3
• Polarizability: 17.506392 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.972

Product Information

• Purity: 95%