4-[6-(undeca-1,3,7-trien-1-yl)piperidin-2-yl]butan-1-ol

• ChemBase ID: 127362
• Molecular Formular: C20H35NO
• Molecular Mass: 305.498
• Monoisotopic Mass: 305.27186475
• SMILES: OCCCCC1CCCC(/C=C/C=C/CC/C=C/CCC)N1
• Canonical SMILES: CCC/C=C/CC/C=C/C=C/C1CCCC(N1)CCCCO
• InChI: InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-14-19-16-13-17-20(21-19)15-11-12-18-22/h4-5,8-10,14,19-22H,2-3,6-7,11-13,15-18H2,1H3
• InChIKey: SWJAJYNVBOUDCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(undeca-1,3,7-trien-1-yl)piperidin-2-yl]butan-1-ol
• IUPAC Traditional name: 4-[6-(undeca-1,3,7-trien-1-yl)piperidin-2-yl]butan-1-ol
• Synonyms: Euglenophycin

Database IDs

• CAS Number: 1219817-69-2
• PubChem SID: 162221683
• PubChem CID: 45255907
• Wikipedia Title: Euglenophycin

CALCULATED PROPERTIES

• Acid pKa: 16.843908
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8394091
• LogD (pH = 7.4): 2.526938
• Log P: 5.0594015
• Molar Refractivity: 100.4565 cm^3
• Polarizability: 38.325855 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false