4-methyl-4-phenylpiperidine

• ChemBase ID: 242719
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(c2ccccc2)(CCNCC1)C
• Canonical SMILES: CC1(CCNCC1)c1ccccc1
• InChI: InChI=1S/C12H17N/c1-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
• InChIKey: WMZXPOYYJULZMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-4-phenylpiperidine
• IUPAC Traditional name: 4-methyl-4-phenylpiperidine
• Synonyms: 4-methyl-4-phenylpiperidine

Database IDs

• MDL Number: MFCD17170045
• PubChem SID: 164298629
• PubChem CID: 3019511

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.84231234
• LogD (pH = 7.4): -0.1652393
• Log P: 2.378358
• Molar Refractivity: 55.9541 cm^3
• Polarizability: 22.158281 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.862

Product Information

• Purity: 95%