2-[1-(tert-butyldimethylsilyl)piperidin-4-yl]ethan-1-ol

• ChemBase ID: 812314
• Molecular Formular: C13H29NOSi
• Molecular Mass: 243.46096
• Monoisotopic Mass: 243.20184109
• SMILES: C(CC1CCN(CC1)[Si](C)(C)C(C)(C)C)O
• Canonical SMILES: OCCC1CCN(CC1)[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C13H29NOSi/c1-13(2,3)16(4,5)14-9-6-12(7-10-14)8-11-15/h12,15H,6-11H2,1-5H3
• InChIKey: NIMNNOHZXFTWHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(tert-butyldimethylsilyl)piperidin-4-yl]ethan-1-ol
• IUPAC Traditional name: 2-[1-(tert-butyldimethylsilyl)piperidin-4-yl]ethanol
• Synonyms: 2-[1-(TERT-BUTYL-DIMETHYL-SILANYL)-PIPERIDIN-4-YL]-ETHANOL

Database IDs

• CAS Number: 204580-44-9

CALCULATED PROPERTIES

• Acid pKa: 17.086569
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3774265
• LogD (pH = 7.4): -1.3736998
• Log P: 1.8963
• Molar Refractivity: 68.1762 cm^3
• Polarizability: 29.028753 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%