ethyl 3-(piperidin-1-yl)propanoate

• ChemBase ID: 91084
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N1(CCC(=O)OCC)CCCCC1
• Canonical SMILES: CCOC(=O)CCN1CCCCC1
• InChI: InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
• InChIKey: MPAWVDTVWPPKJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(piperidin-1-yl)propanoate
• IUPAC Traditional name: ethyl 3-(piperidin-1-yl)propanoate
• Synonyms: 1-(3-Ethoxy-3-oxoprop-1-yl)piperidine; Ethyl 3-(piperidin-1-yl)propionate; Ethyl 3-(piperidin-1-yl)propanoate

Database IDs

• CAS Number: 19653-33-9
• MDL Number: MFCD00006514
• PubChem SID: 162077788
• PubChem CID: 88183

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9081744
• LogD (pH = 7.4): -0.2852127
• Log P: 1.2582337
• Molar Refractivity: 52.4318 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80 - 82°C
• Boiling Point: 108-110°C
• Hydrophobicity(logP): 2.237

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%