3-ethyl-4-phenylpiperidine

• ChemBase ID: 285206
• Molecular Formular: C13H19N
• Molecular Mass: 189.29666
• Monoisotopic Mass: 189.15174961
• SMILES: C1(c2ccccc2)C(CNCC1)CC
• Canonical SMILES: CCC1CNCCC1c1ccccc1
• InChI: InChI=1S/C13H19N/c1-2-11-10-14-9-8-13(11)12-6-4-3-5-7-12/h3-7,11,13-14H,2,8-10H2,1H3
• InChIKey: HJLMDBFLDGLUCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20731217
• PubChem SID: 180670737
• PubChem CID: 56828112

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.33899605
• LogD (pH = 7.4): 0.2278644
• Log P: 2.8878522
• Molar Refractivity: 60.5516 cm^3
• Polarizability: 24.006006 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.391

Product Information

• Purity: 95%