tert-butyl 2-(piperidin-4-yl)acetate

• ChemBase ID: 811159
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: C(C(=O)OC(C)(C)C)C1CCNCC1
• Canonical SMILES: O=C(OC(C)(C)C)CC1CCNCC1
• InChI: InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3
• InChIKey: HIAIZEPNWNXJBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2-(piperidin-4-yl)acetate
• IUPAC Traditional name: tert-butyl 2-(piperidin-4-yl)acetate
• Synonyms: PIPERIDIN-4-YL-ACETIC ACID TERT-BUTYL ESTER

Database IDs

• CAS Number: 180182-07-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9628725
• LogD (pH = 7.4): -1.505792
• Log P: 1.2686874
• Molar Refractivity: 56.2251 cm^3
• Polarizability: 22.55125 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%