1-cyclobutylpiperidin-4-one hydrochloride

• ChemBase ID: 290136
• Molecular Formular: C9H16ClNO
• Molecular Mass: 189.68244
• Monoisotopic Mass: 189.09204182
• SMILES: O=C1CCN(C2CCC2)CC1.Cl
• Canonical SMILES: O=C1CCN(CC1)C1CCC1.Cl
• InChI: InChI=1S/C9H15NO.ClH/c11-9-4-6-10(7-5-9)8-2-1-3-8;/h8H,1-7H2;1H
• InChIKey: UYXWGPWDWWSIPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutylpiperidin-4-one hydrochloride
• IUPAC Traditional name: 1-cyclobutylpiperidin-4-one hydrochloride
• Synonyms: 1-Cyclobutylpiperidin-4-one hydrochloride

Database IDs

• CAS Number: 1210824-86-4
• PubChem SID: 180675667
• PubChem CID: 53421855

CALCULATED PROPERTIES

• Acid pKa: 17.83291
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.9000386
• LogD (pH = 7.4): 0.73389345
• Log P: 1.083266
• Molar Refractivity: 44.2757 cm^3
• Polarizability: 17.446566 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%