1,4-dibenzylpiperidine

• ChemBase ID: 262458
• Molecular Formular: C19H23N
• Molecular Mass: 265.39262
• Monoisotopic Mass: 265.18304974
• SMILES: N1(Cc2ccccc2)CCC(Cc2ccccc2)CC1
• Canonical SMILES: c1ccc(cc1)CC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C19H23N/c1-3-7-17(8-4-1)15-18-11-13-20(14-12-18)16-19-9-5-2-6-10-19/h1-10,18H,11-16H2
• InChIKey: USWWVZJEOYCMQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibenzylpiperidine
• IUPAC Traditional name: 1,4-dibenzylpiperidine
• Synonyms: 1,4-dibenzylpiperidine

Database IDs

• MDL Number: MFCD02930914
• PubChem SID: 164318368
• PubChem CID: 10934382

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2769437
• LogD (pH = 7.4): 2.6464255
• Log P: 4.6304007
• Molar Refractivity: 85.9873 cm^3
• Polarizability: 33.64975 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 65 - 67°C
• Hydrophobicity(logP): 5.106

Product Information

• Purity: 95%