3-ethyl-3-methylpiperidine

• ChemBase ID: 275296
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: N1CC(CC)(C)CCC1
• Canonical SMILES: CCC1(C)CCCNC1
• InChI: InChI=1S/C8H17N/c1-3-8(2)5-4-6-9-7-8/h9H,3-7H2,1-2H3
• InChIKey: CGCJUEBKFAMLJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-3-methylpiperidine
• IUPAC Traditional name: 3-ethyl-3-methylpiperidine
• Synonyms: 3-ethyl-3-methylpiperidine

Database IDs

• MDL Number: MFCD18447679
• PubChem SID: 164331206
• PubChem CID: 17769937

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3871579
• LogD (pH = 7.4): -0.9471707
• Log P: 1.84503
• Molar Refractivity: 40.3061 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.502

Product Information

• Purity: 95%