piperidin-3-ol

• ChemBase ID: 24241
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N1CC(CCC1)O
• Canonical SMILES: OC1CCCNC1
• InChI: InChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2
• InChIKey: BIWOSRSKDCZIFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-ol
• IUPAC Traditional name: piperidin-3-ol
• Synonyms: Piperidin-3-ol; 3-Hydroxypiperidine; 3-Piperidinol; 3-Hydroxypiperidine; 3-哌啶醇; 3-羟基哌啶

Database IDs

• CAS Number: 6859-99-0
• EC Number: 229-957-4
• MDL Number: MFCD00014591
• Beilstein Number: 102696
• PubChem SID: 160987548; 24880007
• PubChem CID: 23293

CALCULATED PROPERTIES

• Acid pKa: 14.895534
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6185102
• LogD (pH = 7.4): -2.7142177
• Log P: -0.41741595
• Molar Refractivity: 28.1969 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble1 g/mL, clear
• Melting Point: 56-60°C; 56-60°C; 57-61 °C
• Boiling Point: 67-69°C/2mm; 67-69°C/2mm
• Flash Point: >100 °C; >100°C(212°F); >212 °F

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic; AIR SENSITIVE, HYGROSCOPIC, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3263; UN3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (NT); 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C5H11NO

DETAILS

Sigma Aldrich - 56210

Packaging
10, 50 g in glass bottle
Application
Reactant for: Synthesis of unsymmetrical ureas1 Synthesis of piperidine nucleoside analogs2 Fluorination reactions3 Synthesis of substituted pyridines4