tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate

• ChemBase ID: 798772
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)c1cnc(cc1)N
• Canonical SMILES: O=C(N1CCC(CC1)c1ccc(nc1)N)OC(C)(C)C
• InChI: InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17)
• InChIKey: UGJYTOMOCDGLRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
• Synonyms: tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate

Database IDs

• CAS Number: 1198408-35-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9192942
• LogD (pH = 7.4): 1.8466152
• Log P: 1.9093629
• Molar Refractivity: 79.3311 cm^3
• Polarizability: 30.159279 Å^3
• Polar Surface Area: 68.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%