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

• ChemBase ID: 290863
• Molecular Formular: C10H20N2O3
• Molecular Mass: 216.2774
• Monoisotopic Mass: 216.14739251
• SMILES: O=C(N1CCC(ON)CC1)OC(C)(C)C
• Canonical SMILES: NOC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O3/c1-10(2,3)14-9(13)12-6-4-8(15-11)5-7-12/h8H,4-7,11H2,1-3H3
• InChIKey: QMTOYSDJBBDOSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(aminooxy)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(aminooxy)piperidine-1-carboxylate
• Synonyms: tert-Butyl 4-(aminooxy)piperidine-1-carboxylate

Database IDs

• CAS Number: 867034-25-1
• PubChem SID: 180676394
• PubChem CID: 24729482

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5431877
• LogD (pH = 7.4): 0.5641418
• Log P: 0.5644156
• Molar Refractivity: 57.4825 cm^3
• Polarizability: 22.572815 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%