4-[4-(butan-2-yl)phenoxy]piperidine

• ChemBase ID: 20979
• Molecular Formular: C15H23NO
• Molecular Mass: 233.34922
• Monoisotopic Mass: 233.17796436
• SMILES: N1CCC(Oc2ccc(cc2)C(CC)C)CC1
• Canonical SMILES: CCC(c1ccc(cc1)OC1CCNCC1)C
• InChI: InChI=1S/C15H23NO/c1-3-12(2)13-4-6-14(7-5-13)17-15-8-10-16-11-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
• InChIKey: ZWLIEKUIIWUPMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(butan-2-yl)phenoxy]piperidine
• IUPAC Traditional name: 4-[4-(sec-butyl)phenoxy]piperidine
• Synonyms: 4-[4-(sec-Butyl)phenoxy]piperidine

Database IDs

• MDL Number: MFCD08687204
• PubChem SID: 160984286
• PubChem CID: 45075446

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.058488145
• LogD (pH = 7.4): 0.78583044
• Log P: 3.1489105
• Molar Refractivity: 71.4694 cm^3
• Polarizability: 28.327156 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false