3-methyl-4-phenylpiperidine

• ChemBase ID: 282690
• Molecular Formular: C12H17N
• Molecular Mass: 175.27008
• Monoisotopic Mass: 175.13609955
• SMILES: C1(c2ccccc2)C(CNCC1)C
• Canonical SMILES: CC1CNCCC1c1ccccc1
• InChI: InChI=1S/C12H17N/c1-10-9-13-8-7-12(10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3
• InChIKey: HFEXFNQMPMZRKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-4-phenylpiperidine
• IUPAC Traditional name: 3-methyl-4-phenylpiperidine
• Synonyms: 3-methyl-4-phenylpiperidine

Database IDs

• MDL Number: MFCD20441646
• PubChem SID: 180668221
• PubChem CID: 13650743

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7836305
• LogD (pH = 7.4): -0.21811862
• Log P: 2.4432836
• Molar Refractivity: 55.9506 cm^3
• Polarizability: 22.15898 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.862

Product Information

• Purity: 95%