tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate

• ChemBase ID: 288809
• Molecular Formular: C10H19FN2O2
• Molecular Mass: 218.2684632
• Monoisotopic Mass: 218.14305608
• SMILES: FC1CN(C(=O)OC(C)(C)C)CCC1N
• Canonical SMILES: NC1CCN(CC1F)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3
• InChIKey: ZQRYPCAUVKVMLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate
• Synonyms: tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate

Database IDs

• CAS Number: 934536-10-4; 1228185-45-2
• PubChem SID: 180674340
• PubChem CID: 21948952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3193367
• LogD (pH = 7.4): -0.84365445
• Log P: 0.5022895
• Molar Refractivity: 54.4753 cm^3
• Polarizability: 21.60808 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%