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

• ChemBase ID: 290246
• Molecular Formular: C14H24N2O3
• Molecular Mass: 268.35196
• Monoisotopic Mass: 268.17869264
• SMILES: O=C(OC(C)(C)C)NC1CCN(C(=O)C2CC2)CC1
• Canonical SMILES: O=C(OC(C)(C)C)NC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)15-11-6-8-16(9-7-11)12(17)10-4-5-10/h10-11H,4-9H2,1-3H3,(H,15,18)
• InChIKey: VVEUFBFEDFJPGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1152430-26-6
• PubChem SID: 180675777
• PubChem CID: 37967181

CALCULATED PROPERTIES

• Acid pKa: 15.055604
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.900135
• LogD (pH = 7.4): 0.9001352
• Log P: 0.9001352
• Molar Refractivity: 71.9133 cm^3
• Polarizability: 28.19876 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%