piperidin-4-ol hydrochloride

• ChemBase ID: 148619
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1CNCCC1O.Cl
• Canonical SMILES: OC1CCNCC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H
• InChIKey: VKCORPXOKYDINR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-4-ol hydrochloride
• IUPAC Traditional name: piperidin-4-ol hydrochloride
• Synonyms: 4-Piperidinol hydrochloride; 4-Hydroxypiperidine hydrochloride; Piperidin-4-ol hydrochloride; 4-哌啶醇 盐酸盐; 4-羟基哌啶 盐酸盐

Database IDs

• CAS Number: 5382-17-2
• EC Number: 226-374-7
• MDL Number: MFCD00035298
• Beilstein Number: 3908995
• PubChem SID: 24880025; 162242794; 24864381
• PubChem CID: 16212499

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: 155-157 °C; 155-157 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 95+%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C5H11NO · HCl

DETAILS

Sigma Aldrich - 391468

Packaging
5, 25 g in glass bottle
Application
Reactant for synthesis of: 14C-labeled E40101 PET tracer for imaging brain acetylcholinesterase2Reactant for allosteric modulators of metabotropic glutamate receptor subtype 53

Sigma Aldrich - 56230

Application
Reactant for synthesis of: 14C-labeled E40101 PET tracer for imaging brain acetylcholinesterase2Reactant for allosteric modulators of metabotropic glutamate receptor subtype 53