2-(piperidin-4-yl)ethan-1-ol hydrochloride

• ChemBase ID: 293140
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: OCCC1CCNCC1.Cl
• Canonical SMILES: OCCC1CCNCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c9-6-3-7-1-4-8-5-2-7;/h7-9H,1-6H2;1H
• InChIKey: YGNODHQJYXZSBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)ethan-1-ol hydrochloride
• IUPAC Traditional name: 4-piperidineethanol hydrochloride
• Synonyms: 2-(Piperidin-4-yl)ethanol hydrochloride

Database IDs

• CAS Number: 90747-17-4
• MDL Number: MFCD14583118
• PubChem SID: 180678671
• PubChem CID: 19773564

CALCULATED PROPERTIES

• Acid pKa: 17.086569
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2791889
• LogD (pH = 7.4): -2.8227992
• Log P: -0.047603194
• Molar Refractivity: 37.9137 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%