4-[(4-ethylphenyl)methyl]piperidine

• ChemBase ID: 812472
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: C1(CCNCC1)Cc1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)CC1CCNCC1
• InChI: InChI=1S/C14H21N/c1-2-12-3-5-13(6-4-12)11-14-7-9-15-10-8-14/h3-6,14-15H,2,7-11H2,1H3
• InChIKey: GYGUVDCDFCXAQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-ethylphenyl)methyl]piperidine
• IUPAC Traditional name: 4-[(4-ethylphenyl)methyl]piperidine
• Synonyms: 4-(4-ETHYL-BENZYL)-PIPERIDINE

Database IDs

• CAS Number: 781595-51-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24930318
• LogD (pH = 7.4): 0.70621306
• Log P: 3.4808695
• Molar Refractivity: 65.7222 cm^3
• Polarizability: 25.77129 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%