2-[4-(hydroxyimino)piperidin-1-yl]-1-(morpholin-4-yl)ethan-1-one hydrochloride

• ChemBase ID: 253054
• Molecular Formular: C11H20ClN3O3
• Molecular Mass: 277.7478
• Monoisotopic Mass: 277.1193192
• SMILES: C(=O)(N1CCOCC1)CN1CCC(=NO)CC1.Cl
• Canonical SMILES: ON=C1CCN(CC1)CC(=O)N1CCOCC1.Cl
• InChI: InChI=1S/C11H19N3O3.ClH/c15-11(14-5-7-17-8-6-14)9-13-3-1-10(12-16)2-4-13;/h16H,1-9H2;1H
• InChIKey: PTXCMBBYTVNMBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(hydroxyimino)piperidin-1-yl]-1-(morpholin-4-yl)ethan-1-one hydrochloride
• IUPAC Traditional name: 2-[4-(hydroxyimino)piperidin-1-yl]-1-(morpholin-4-yl)ethanone hydrochloride
• Synonyms: 1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-one oxime hydrochloride

Database IDs

• MDL Number: MFCD10686659
• PubChem SID: 164308964
• PubChem CID: 43810455

CALCULATED PROPERTIES

• Acid pKa: 11.144005
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.6887805
• LogD (pH = 7.4): -1.1593921
• Log P: -0.9174951
• Molar Refractivity: 63.0599 cm^3
• Polarizability: 24.435963 Å^3
• Polar Surface Area: 65.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.09

Product Information

• Purity: 95%
• Salt Data: HCl