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

• ChemBase ID: 113085
• Molecular Formular: C12H23NO3
• Molecular Mass: 229.31592
• Monoisotopic Mass: 229.1677936
• SMILES: C(=O)(N1CCC(CC1)COC)OC(C)(C)C
• Canonical SMILES: COCC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C12H23NO3/c1-12(2,3)16-11(14)13-7-5-10(6-8-13)9-15-4/h10H,5-9H2,1-4H3
• InChIKey: KDOINXYPVJQGPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162106828
• PubChem CID: 21989877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5121014
• LogD (pH = 7.4): 1.5121014
• Log P: 1.5121014
• Molar Refractivity: 62.982 cm^3
• Polarizability: 24.711428 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Product Information

• Purity: >95%