2-methyl-6-phenylpiperidine

• ChemBase ID: 235773
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: N1C(c2ccccc2)CCCC1C
• Canonical SMILES: CC1CCCC(N1)c1ccccc1
• InChI: InChI=1S/C12H17N/c1-10-6-5-9-12(13-10)11-7-3-2-4-8-11/h2-4,7-8,10,12-13H,5-6,9H2,1H3
• InChIKey: JYJBTYOECUQNLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-phenylpiperidine
• IUPAC Traditional name: 2-methyl-6-phenylpiperidine
• Synonyms: 2-methyl-6-phenylpiperidine

Database IDs

• MDL Number: MFCD08692850
• PubChem SID: 164291683
• PubChem CID: 16637671

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.35011265
• LogD (pH = 7.4): 0.48360756
• Log P: 2.8583028
• Molar Refractivity: 55.537 cm^3
• Polarizability: 22.23768 Å^3
• Polar Surface Area: 12.03 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.012

Product Information

• Purity: 95%