3-ethylpiperidin-3-ol

• ChemBase ID: 144150
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: CCC1(CCCNC1)O
• Canonical SMILES: CCC1(O)CCCNC1
• InChI: InChI=1S/C7H15NO/c1-2-7(9)4-3-5-8-6-7/h8-9H,2-6H2,1H3
• InChIKey: NLVBTAUKMSPTEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpiperidin-3-ol
• IUPAC Traditional name: 3-ethylpiperidin-3-ol
• Synonyms: 3-Ethylpiperidin-3-ol; 3-ethylpiperidin-3-ol

Database IDs

• CAS Number: 1177299-74-9
• MDL Number: MFCD09971183
• PubChem SID: 162238367
• PubChem CID: 45791114

CALCULATED PROPERTIES

• Acid pKa: 14.428812
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8263521
• LogD (pH = 7.4): -2.0328586
• Log P: 0.38568312
• Molar Refractivity: 37.3591 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H15NO

DETAILS

Sigma Aldrich - CBR00014

Other Notes
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Legal Information
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