(3R)-piperidin-3-ol hydrochloride

• ChemBase ID: 68127
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: N1C[C@@H](CCC1)O.Cl
• Canonical SMILES: O[C@@H]1CCCNC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H/t5-;/m1./s1
• InChIKey: VLECDMDGMKPUSK-NUBCRITNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-piperidin-3-ol hydrochloride
• IUPAC Traditional name: (3R)-piperidin-3-ol hydrochloride
• Synonyms: (R)-3-Hydroxypiperidine hydrochloride; (3R)-(+)-Piperidin-3-ol hydrochloride; (3R)-(+)-3-Hydroxypiperidine hydrochloride; (R)-(+)-3-Hydroxypiperidine hydrochloride; (R)-Piperidin-3-ol hydrochloride; (R)-(+)-3-羟基哌啶 盐酸盐

Database IDs

• CAS Number: 198976-43-1
• MDL Number: MFCD00192221
• PubChem SID: 24865527; 162033859
• PubChem CID: 2759333

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

• Melting Point: 195-196 °C(lit.); 195-196°C
• Optical Rotation: [α]20/D +8.6°, c = 2 in methanol; +8.6 (c=2 in methanol)

Safety Information

• Storage Warning: IRRITANT; Irritant/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39; 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C5H11NO · HCl

DETAILS

Sigma Aldrich - 410462

Application
Starter for (R)-(+)-3-pyrrolidyl benzilates with pharmaceutical applications.1
Packaging
1, 5 g in glass bottle