piperidin-4-ol

• ChemBase ID: 51431
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: N1CCC(CC1)O
• Canonical SMILES: OC1CCNCC1
• InChI: InChI=1S/C5H11NO/c7-5-1-3-6-4-2-5/h5-7H,1-4H2
• InChIKey: HDOWRFHMPULYOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-4-ol
• IUPAC Traditional name: piperidin-4-ol
• Synonyms: 4-Piperidinol; piperidin-4-ol; 4-Piperidinol; 4-Hydroxypiperidine; 4-Hydroxypiperidine; 4-Hydroxypiperidine 98%; 4-哌啶醇; 4-羟基哌啶

Database IDs

• CAS Number: 5382-16-1
• EC Number: 226-373-1
• MDL Number: MFCD00005999
• Beilstein Number: 102738
• PubChem SID: 24847875; 162056194; 24880015
• PubChem CID: 79341

CALCULATED PROPERTIES

• Acid pKa: 15.180221
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.073909
• LogD (pH = 7.4): -3.1523435
• Log P: -0.87481886
• Molar Refractivity: 28.4177 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

• Melting Point: 86-90 °C; 86-90°C
• Boiling Point: 108-114 °C/10 mmHg(lit.); 108-114°C/10mm; 108-114°C/10mm
• Flash Point: 107°C(224°F); 108 °C; 226.4 °F

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3263
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 96%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C5H11NO

DETAILS

MP Biomedicals - 05203352

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 128775

Application
Used in a study of copper-catalyzed N- versus O-arylation.1
Packaging
5, 25, 100 g in glass bottle