tert-butyl N-(1-ethylpiperidin-4-yl)carbamate

• ChemBase ID: 290247
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: O=C(OC(C)(C)C)NC1CCN(CC)CC1
• Canonical SMILES: CCN1CCC(CC1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C12H24N2O2/c1-5-14-8-6-10(7-9-14)13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
• InChIKey: JUOXFFYHDMNFHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(1-ethylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(1-ethylpiperidin-4-yl)carbamate
• Synonyms: tert-Butyl (1-ethylpiperidin-4-yl)carbamate

Database IDs

• CAS Number: 534595-56-7
• PubChem SID: 180675778
• PubChem CID: 20801239

CALCULATED PROPERTIES

• Acid pKa: 15.382449
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7676209
• LogD (pH = 7.4): -0.05916966
• Log P: 1.2502526
• Molar Refractivity: 64.9915 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%