4-ethoxypiperidine

• ChemBase ID: 20928
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: N1CCC(CC1)OCC
• Canonical SMILES: CCOC1CCNCC1
• InChI: InChI=1S/C7H15NO/c1-2-9-7-3-5-8-6-4-7/h7-8H,2-6H2,1H3
• InChIKey: OYHQAXYDSYSGEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxypiperidine
• IUPAC Traditional name: 4-ethoxypiperidine
• Synonyms: 4-Ethoxypiperidine

Database IDs

• CAS Number: 1122-86-7
• MDL Number: MFCD06247385
• PubChem SID: 160984235
• PubChem CID: 11506519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0948193
• LogD (pH = 7.4): -2.4064136
• Log P: 0.12511557
• Molar Refractivity: 37.9175 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.047

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%