1-(2-hydroxyethyl)piperidin-3-ol

• ChemBase ID: 275725
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: N1(CC(O)CCC1)CCO
• Canonical SMILES: OCCN1CCCC(C1)O
• InChI: InChI=1S/C7H15NO2/c9-5-4-8-3-1-2-7(10)6-8/h7,9-10H,1-6H2
• InChIKey: DZZDZGVPMIOGSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyethyl)piperidin-3-ol
• IUPAC Traditional name: 1-(2-hydroxyethyl)piperidin-3-ol
• Synonyms: 1-(2-hydroxyethyl)piperidin-3-ol

Database IDs

• MDL Number: MFCD14647094
• PubChem SID: 164331635
• PubChem CID: 12281023

CALCULATED PROPERTIES

• Acid pKa: 14.808403
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8701122
• LogD (pH = 7.4): -2.2315445
• Log P: -0.72447
• Molar Refractivity: 39.7839 cm^3
• Polarizability: 15.66981 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.398

Product Information

• Purity: 95%