tert-butyl 4-(cyclobutylamino)piperidine-1-carboxylate

• ChemBase ID: 812005
• Molecular Formular: C14H26N2O2
• Molecular Mass: 254.36844
• Monoisotopic Mass: 254.19942808
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)NC1CCC1
• Canonical SMILES: O=C(N1CCC(CC1)NC1CCC1)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-7-12(8-10-16)15-11-5-4-6-11/h11-12,15H,4-10H2,1-3H3
• InChIKey: MNMSQUBVXWZAPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(cyclobutylamino)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(cyclobutylamino)piperidine-1-carboxylate
• Synonyms: 1-BOC-4-CYCLOBUTYLAMINO-PIPERIDINE

Database IDs

• CAS Number: 812690-41-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5890775
• LogD (pH = 7.4): -1.1806897
• Log P: 1.6442059
• Molar Refractivity: 71.6571 cm^3
• Polarizability: 28.48516 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%