4-(2,4,5-trimethylphenyl)piperidine

• ChemBase ID: 19425
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: c1(cc(c(cc1C)C)C)C1CCNCC1
• Canonical SMILES: Cc1cc(C)c(cc1C1CCNCC1)C
• InChI: InChI=1S/C14H21N/c1-10-8-12(3)14(9-11(10)2)13-4-6-15-7-5-13/h8-9,13,15H,4-7H2,1-3H3
• InChIKey: FDTMCQVEYOFOCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4,5-trimethylphenyl)piperidine
• IUPAC Traditional name: 4-(2,4,5-trimethylphenyl)piperidine
• Synonyms: 4-(2,4,5-Trimethylphenyl)piperidine

Database IDs

• MDL Number: MFCD08688567
• PubChem SID: 160982732
• PubChem CID: 26188955

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.39548212
• LogD (pH = 7.4): 1.0328017
• Log P: 3.6185749
• Molar Refractivity: 66.6026 cm^3
• Polarizability: 25.607567 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false