1-ethylpiperidin-4-ol

• ChemBase ID: 67403
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1(CCC(CC1)O)CC
• Canonical SMILES: CCN1CCC(CC1)O
• InChI: InChI=1S/C7H15NO/c1-2-8-5-3-7(9)4-6-8/h7,9H,2-6H2,1H3
• InChIKey: AHOJTPZHHMJMCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethylpiperidin-4-ol
• IUPAC Traditional name: 1-ethylpiperidin-4-ol
• Synonyms: N-Ethyl-4-hydroxypiperidine; 1-ethylpiperidin-4-ol

Database IDs

• CAS Number: 3518-83-0
• MDL Number: MFCD00006509
• PubChem SID: 162033138
• PubChem CID: 77056

CALCULATED PROPERTIES

• Acid pKa: 15.179291
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4596465
• LogD (pH = 7.4): -2.0300074
• Log P: -0.13496299
• Molar Refractivity: 38.461 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.177

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%