tert-butyl N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]carbamate

• ChemBase ID: 248970
• Molecular Formular: C16H30N2O2
• Molecular Mass: 282.4216
• Monoisotopic Mass: 282.23072821
• SMILES: N1(CC(C(NC(=O)OC(C)(C)C)C)CCC1)C1CCC1
• Canonical SMILES: O=C(OC(C)(C)C)NC(C1CCCN(C1)C1CCC1)C
• InChI: InChI=1S/C16H30N2O2/c1-12(17-15(19)20-16(2,3)4)13-7-6-10-18(11-13)14-8-5-9-14/h12-14H,5-11H2,1-4H3,(H,17,19)
• InChIKey: MSQUHYIHWZHTAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]carbamate
• IUPAC Traditional name: tert-butyl N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]carbamate
• Synonyms: tert-butyl N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]carbamate

Database IDs

• PubChem SID: 164304880
• PubChem CID: 71758625

CALCULATED PROPERTIES

• Acid pKa: 15.431769
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6540119
• LogD (pH = 7.4): 0.6569665
• Log P: 2.7223103
• Molar Refractivity: 81.1931 cm^3
• Polarizability: 32.16681 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.718

Product Information

• Purity: 95%