tert-butyl N-ethyl-N-[2-methyl-1-(piperidin-3-yl)propyl]carbamate

• ChemBase ID: 282172
• Molecular Formular: C16H32N2O2
• Molecular Mass: 284.43748
• Monoisotopic Mass: 284.24637827
• SMILES: C(=O)(N(C(C1CNCCC1)C(C)C)CC)OC(C)(C)C
• Canonical SMILES: CCN(C(C1CCCNC1)C(C)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C16H32N2O2/c1-7-18(15(19)20-16(4,5)6)14(12(2)3)13-9-8-10-17-11-13/h12-14,17H,7-11H2,1-6H3
• InChIKey: RWDZSIBSJFLDKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-ethyl-N-[2-methyl-1-(piperidin-3-yl)propyl]carbamate
• IUPAC Traditional name: tert-butyl N-ethyl-N-[2-methyl-1-(piperidin-3-yl)propyl]carbamate
• Synonyms: tert-butyl N-ethyl-N-[2-methyl-1-(piperidin-3-yl)propyl]carbamate

Database IDs

• MDL Number: MFCD17167265
• PubChem SID: 180667703
• PubChem CID: 50987936

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.33084446
• LogD (pH = 7.4): 0.21276544
• Log P: 2.8971086
• Molar Refractivity: 82.7271 cm^3
• Polarizability: 32.895855 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.672

Product Information

• Purity: 95%