2-(piperidin-1-yl)(2H4)ethan-1-ol

• ChemBase ID: 176770
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CCCCN1CCO
• Canonical SMILES: OCCN1CCCCC1
• InChI: InChI=1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
• InChIKey: KZTWONRVIPPDKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)(^2H₄)ethan-1-ol
• IUPAC Traditional name: 2-(piperidin-1-yl)(^2H₄)ethanol
• Synonyms: β-Piperidinoethanol-d4; 1-(2-Hydroxyethyl)piperidine-d4; 2-(1-Piperidino)ethanol-d4; 2-(1-Piperidinyl)ethanol-d4; 2-(N-Piperidino)ethanol-d4; 2-(Piperid-1-yl)ethanol-d4; N-Piperidineethanol-d4; N-Piperidinoethanol-d4; NSC 3460-d4; 1-Piperidineethanol-d4

Database IDs

• CAS Number: 1189705-44-9
• PubChem SID: 164232680
• PubChem CID: 45040256

CALCULATED PROPERTIES

• Acid pKa: 15.593262
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0201573
• LogD (pH = 7.4): -1.6934307
• Log P: 0.3504336
• Molar Refractivity: 38.4224 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Dichloromethane; Ethanol; Ethyl Acetate
• Apperance: Clear Colourless Liquid
• Boiling Point: 70-75°C@10mmHg.