tert-butyl N-(3-ethylpiperidin-4-yl)carbamate

• ChemBase ID: 278878
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: C(=O)(NC1C(CNCC1)CC)OC(C)(C)C
• Canonical SMILES: CCC1CNCCC1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C12H24N2O2/c1-5-9-8-13-7-6-10(9)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
• InChIKey: VNZZRCPXJDZCIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(3-ethylpiperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-(3-ethylpiperidin-4-yl)carbamate
• Synonyms: tert-butyl N-(3-ethylpiperidin-4-yl)carbamate

Database IDs

• MDL Number: MFCD22578752
• PubChem SID: 164334788
• PubChem CID: 71758770

CALCULATED PROPERTIES

• Acid pKa: 15.283249
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7915547
• LogD (pH = 7.4): -1.20463
• Log P: 1.434289
• Molar Refractivity: 63.9656 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.739

Product Information

• Purity: 95%