4-(tert-butoxy)piperidine

• ChemBase ID: 237887
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1CCC(OC(C)(C)C)CC1
• Canonical SMILES: CC(OC1CCNCC1)(C)C
• InChI: InChI=1S/C9H19NO/c1-9(2,3)11-8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3
• InChIKey: FOANNJQFHJONSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tert-butoxy)piperidine
• IUPAC Traditional name: 4-(tert-butoxy)piperidine
• Synonyms: 4-(tert-butoxy)piperidine

Database IDs

• MDL Number: MFCD11197227
• PubChem SID: 164293797
• PubChem CID: 10678507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3976657
• LogD (pH = 7.4): -1.7092284
• Log P: 0.8222673
• Molar Refractivity: 46.9745 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.661

Product Information

• Purity: 95%