1-(piperidin-2-yl)ethan-1-ol

• ChemBase ID: 174076
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CNC(CC1)C(C)O
• Canonical SMILES: CC(C1CCCCN1)O
• InChI: InChI=1S/C7H15NO/c1-6(9)7-4-2-3-5-8-7/h6-9H,2-5H2,1H3
• InChIKey: GSPAVZIEDMALNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(piperidin-2-yl)ethanol
• Synonyms: 1-(2-Piperidyl)ethanol; 2-(1'-Hydroxyethyl)piperidine; Methyl(2-piperidyl)carbinol; NSC 346486; α-Methyl-2-piperidinemethanol; 1-(piperidin-2-yl)ethan-1-ol

Database IDs

• CAS Number: 54160-32-6
• MDL Number: MFCD17976979
• PubChem SID: 164229986
• PubChem CID: 335682

CALCULATED PROPERTIES

• Acid pKa: 14.920996
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7738004
• LogD (pH = 7.4): -2.0503678
• Log P: 0.44372773
• Molar Refractivity: 37.2167 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane
• Apperance: Colorless Oil
• Hydrophobicity(logP): 0.56

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - M324830

Can be used in the preparation of substances with herbicidal activity.