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

• ChemBase ID: 69385
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1C(CCCC1)CCO
• Canonical SMILES: OCCC1CCCCN1
• InChI: InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2
• InChIKey: PTHDBHDZSMGHKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-piperidineethanol
• Synonyms: 2-Piperidineethanol; (+/-)-2-Piperidineethanol; 2-(2-Piperidinyl)ethanol; 2-Piperidine-2-yl-ethanol; NSC 9261; 2-Ethanolpiperidine, 95%; 2-(2-Hydroxyethyl)piperidine; 2-Piperidineethanol; 2-(piperidin-2-yl)ethanol; 2-Piperidineethanol; 2-(β-HYDROXYETHYL)PIPERIDINE; 2-(2-羟乙基)哌啶; 2-哌啶乙醇

Database IDs

• CAS Number: 1484-84-0
• EC Number: 216-059-2
• MDL Number: MFCD00005989
• PubChem SID: 162035111; 24867148
• PubChem CID: 15144

CALCULATED PROPERTIES

• Acid pKa: 15.924531
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1343083
• LogD (pH = 7.4): -2.4691408
• Log P: 0.08711246
• Molar Refractivity: 37.6633 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 38-40 °C(lit.); 40-42°C
• Boiling Point: 234 °C(lit.)
• Flash Point: 112 °C; 233.6 °F

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3263 8/PG 2

Product Information

• Purity: 90%; 95+%
• Grade: technical grade
• Empirical Formula (Hill Notation): C7H15NO
• Classification: Derivatives & analogs of Natural Compounds

DETAILS

MP Biomedicals - 05206617

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 433594

Packaging
25 g in glass bottle
Application
Reactant for syntehsis of: Spiroimidazolidinone NPC1L1 inhibitors1 P2Y12 antagonists for inhibition of platelet aggregation2 Cyclin-dependent kinase inhibitors3 Anti-HIV agents4 Tetraponerine analogs5Reactant for cyclization of secondary homoallylic amines6

Toronto Research Chemicals - E890390

Heterocyclic compound used in cosmetic compositions.

REFERENCES

• Windheuser, J., et al.: J. Pharm. Sci., 71, 121 (1982)
• Davis, E., et al.: J. Med. Entomol., 22, 237 (1982)
• Osimitz, T., et al.: J. Toxicol., 35, 435 (1982)
• Ross, E., et al.: Drug Metab. Dispos., 32, 783 (1982)