tert-butyl 4-{[(3-aminopyridin-2-yl)oxy]methyl}piperidine-1-carboxylate

• ChemBase ID: 288754
• Molecular Formular: C16H25N3O3
• Molecular Mass: 307.388
• Monoisotopic Mass: 307.18959168
• SMILES: Nc1cccnc1OCC1CCN(C(=O)OC(C)(C)C)CC1
• Canonical SMILES: O=C(N1CCC(CC1)COc1ncccc1N)OC(C)(C)C
• InChI: InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-6-12(7-10-19)11-21-14-13(17)5-4-8-18-14/h4-5,8,12H,6-7,9-11,17H2,1-3H3
• InChIKey: INULZHXUJBVTMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-{[(3-aminopyridin-2-yl)oxy]methyl}piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-{[(3-aminopyridin-2-yl)oxy]methyl}piperidine-1-carboxylate
• Synonyms: 1-Boc-4-(((3-Aminopyridin-2-yl)oxy)methyl)piperidine

Database IDs

• CAS Number: 1286274-50-7
• PubChem SID: 180674285
• PubChem CID: 53255977

CALCULATED PROPERTIES

• Polarizability: 32.699055 Å^3
• Polar Surface Area: 77.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7481177
• LogD (pH = 7.4): 1.7509495
• Log P: 1.7509857
• Molar Refractivity: 85.3477 cm^3

PROPERTIES

Product Information

• Purity: 95+%