tert-butyl 4-(hydroxyimino)piperidine-1-carboxylate

• ChemBase ID: 804462
• Molecular Formular: C10H18N2O3
• Molecular Mass: 214.26152
• Monoisotopic Mass: 214.13174245
• SMILES: C1(=NO)CCN(CC1)C(=O)OC(C)(C)C
• Canonical SMILES: ON=C1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-6-4-8(11-14)5-7-12/h14H,4-7H2,1-3H3
• InChIKey: LDLQTMSUZKHEHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(hydroxyimino)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(hydroxyimino)piperidine-1-carboxylate
• Synonyms: TERT-BUTYL 4-(HYDROXYIMINO)PIPERIDINE-1-CARBOXYLATE

Database IDs

• CAS Number: 150008-24-5

CALCULATED PROPERTIES

• Acid pKa: 10.955126
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0827547
• LogD (pH = 7.4): 1.0826372
• Log P: 1.0827577
• Molar Refractivity: 55.9856 cm^3
• Polarizability: 21.790312 Å^3
• Polar Surface Area: 62.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%