5-ethyl-2-methylpiperidine

• ChemBase ID: 87137
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N1CC(CC)CCC1C
• Canonical SMILES: CCC1CCC(NC1)C
• InChI: InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3
• InChIKey: XOFNHZHCGBPVGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-methylpiperidine
• IUPAC Traditional name: 2-methyl-5-ethylpiperidine
• Synonyms: 5-Ethyl-2-methylpiperidine

Database IDs

• CAS Number: 104-89-2
• MDL Number: MFCD00023134
• PubChem SID: 162074253
• PubChem CID: 7727

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3521602
• LogD (pH = 7.4): -1.0255834
• Log P: 1.8836042
• Molar Refractivity: 40.3268 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: TECH