tert-butyl 4-(5,6-diaminopyridin-2-yl)piperidine-1-carboxylate

• ChemBase ID: 801898
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: C1(CCN(CC1)C(=O)OC(C)(C)C)c1nc(c(cc1)N)N
• Canonical SMILES: O=C(N1CCC(CC1)c1ccc(c(n1)N)N)OC(C)(C)C
• InChI: InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-8-6-10(7-9-19)12-5-4-11(16)13(17)18-12/h4-5,10H,6-9,16H2,1-3H3,(H2,17,18)
• InChIKey: OGDVLHJUHBDGFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-(5,6-diaminopyridin-2-yl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-(5,6-diaminopyridin-2-yl)piperidine-1-carboxylate
• Synonyms: TERT-BUTYL 4-(5,6-DIAMINOPYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.0071515664
• LogD (pH = 7.4): 1.1185076
• Log P: 1.2103201
• Molar Refractivity: 83.6336 cm^3
• Polarizability: 31.30934 Å^3
• Polar Surface Area: 94.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%