1-(azetidin-3-yl)piperidin-2-one hydrochloride

• ChemBase ID: 247548
• Molecular Formular: C8H15ClN2O
• Molecular Mass: 190.6705
• Monoisotopic Mass: 190.08729079
• SMILES: N1(C(=O)CCCC1)C1CNC1.Cl
• Canonical SMILES: O=C1CCCCN1C1CNC1.Cl
• InChI: InChI=1S/C8H14N2O.ClH/c11-8-3-1-2-4-10(8)7-5-9-6-7;/h7,9H,1-6H2;1H
• InChIKey: GFGCLGUUBBTGDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(azetidin-3-yl)piperidin-2-one hydrochloride
• IUPAC Traditional name: 1-(azetidin-3-yl)piperidin-2-one hydrochloride
• Synonyms: 1-(azetidin-3-yl)piperidin-2-one hydrochloride

Database IDs

• PubChem SID: 164303458
• PubChem CID: 71758244

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.471176
• LogD (pH = 7.4): -2.0820818
• Log P: -0.38752586
• Molar Refractivity: 42.1812 cm^3
• Polarizability: 16.74643 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): -0.045

Product Information

• Purity: 95%