3-methyl-3-phenylpiperidine

• ChemBase ID: 274515
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(c2ccccc2)(CNCCC1)C
• Canonical SMILES: CC1(CCCNC1)c1ccccc1
• InChI: InChI=1S/C12H17N/c1-12(8-5-9-13-10-12)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
• InChIKey: JMPNCLOLPRVYKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3-phenylpiperidine
• IUPAC Traditional name: 3-methyl-3-phenylpiperidine
• Synonyms: 3-methyl-3-phenylpiperidine

Database IDs

• MDL Number: MFCD00087528
• PubChem SID: 164330425
• PubChem CID: 89208

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6821785
• LogD (pH = 7.4): 0.056090076
• Log P: 2.5342653
• Molar Refractivity: 55.8001 cm^3
• Polarizability: 22.157555 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.012

Product Information

• Purity: 95%