tert-butyl 1-aminopiperidine-4-carboxylate

• ChemBase ID: 816204
• Molecular Formular: C10H20N2O2
• Molecular Mass: 200.278
• Monoisotopic Mass: 200.15247789
• SMILES: C1(CCN(CC1)N)C(=O)OC(C)(C)C
• Canonical SMILES: NN1CCC(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-4-6-12(11)7-5-8/h8H,4-7,11H2,1-3H3
• InChIKey: BTYHAYZTYOWFQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1-aminopiperidine-4-carboxylate
• IUPAC Traditional name: tert-butyl 1-aminopiperidine-4-carboxylate
• Synonyms: 4-BOC-AMINOPIPERIDINE

Database IDs

• CAS Number: 73874-95-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2425753
• LogD (pH = 7.4): 0.38648137
• Log P: 0.40494415
• Molar Refractivity: 56.1341 cm^3
• Polarizability: 22.041615 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%