4-ethylpiperidine

• ChemBase ID: 144023
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: CCC1CCNCC1
• Canonical SMILES: CCC1CCNCC1
• InChI: InChI=1S/C7H15N/c1-2-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3
• InChIKey: KWHPWBXOLZTZMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethylpiperidine
• IUPAC Traditional name: 4-ethylpiperidine
• Synonyms: 4-Ethylpiperidine; 4-ethylpiperidine

Database IDs

• CAS Number: 3230-23-7
• MDL Number: MFCD01872520
• PubChem SID: 162238240
• PubChem CID: 76704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8425134
• LogD (pH = 7.4): -1.3862062
• Log P: 1.3890754
• Molar Refractivity: 35.985 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.983

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C7H15N

DETAILS

Sigma Aldrich - CBR00026

Other Notes
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Legal Information
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