4-ethyl-4-methylpiperidine

• ChemBase ID: 144021
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: CCC1(CCNCC1)C
• Canonical SMILES: CCC1(C)CCNCC1
• InChI: InChI=1S/C8H17N/c1-3-8(2)4-6-9-7-5-8/h9H,3-7H2,1-2H3
• InChIKey: FMPQITXSSWLMDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-4-methylpiperidine
• IUPAC Traditional name: 4-ethyl-4-methylpiperidine
• Synonyms: 4-Ethyl-4-methylpiperidine; 4-ethyl-4-methylpiperidine

Database IDs

• CAS Number: 4045-31-2
• MDL Number: MFCD08361560
• PubChem SID: 162238238
• PubChem CID: 17750882

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5418459
• LogD (pH = 7.4): -1.069284
• Log P: 1.6891226
• Molar Refractivity: 40.4601 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17N

DETAILS

Sigma Aldrich - CBR00049

Other Notes
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Legal Information
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