1-benzyl-4-butylidenepiperidine

• ChemBase ID: 814591
• Molecular Formular: C16H23N
• Molecular Mass: 229.36052
• Monoisotopic Mass: 229.18304974
• SMILES: C1(=CCCC)CCN(CC1)Cc1ccccc1
• Canonical SMILES: CCCC=C1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C16H23N/c1-2-3-7-15-10-12-17(13-11-15)14-16-8-5-4-6-9-16/h4-9H,2-3,10-14H2,1H3
• InChIKey: FNDJPBCXMYYKSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-butylidenepiperidine
• IUPAC Traditional name: 1-benzyl-4-butylidenepiperidine
• Synonyms: 1-benzyl-4-butylidenepiperidine

Database IDs

• CAS Number: 132439-21-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1470014
• LogD (pH = 7.4): 2.9060671
• Log P: 3.9801543
• Molar Refractivity: 75.9443 cm^3
• Polarizability: 29.396906 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%