tert-butyl N-ethyl-N-(piperidin-4-yl)carbamate

• ChemBase ID: 61453
• Molecular Formular: C12H24N2O2
• Molecular Mass: 228.33116
• Monoisotopic Mass: 228.18377802
• SMILES: C1CNCCC1N(CC)C(=O)OC(C)(C)C
• Canonical SMILES: CCN(C(=O)OC(C)(C)C)C1CCNCC1
• InChI: InChI=1S/C12H24N2O2/c1-5-14(10-6-8-13-9-7-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3
• InChIKey: JGRCDKUNLLBMTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-ethyl-N-(piperidin-4-yl)carbamate
• IUPAC Traditional name: tert-butyl N-ethyl-N-(piperidin-4-yl)carbamate
• Synonyms: tert-Butyl ethyl(piperidin-4-yl)carbamate; tert-butyl N-ethyl-N-(piperidin-4-yl)carbamate

Database IDs

• CAS Number: 313977-45-6
• MDL Number: MFCD06808579
• PubChem SID: 162027194
• PubChem CID: 18677728

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1292782
• LogD (pH = 7.4): -1.4442918
• Log P: 1.0908808
• Molar Refractivity: 64.5935 cm^3
• Polarizability: 25.531202 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.816

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%