ethyl 3-(piperidin-4-yl)propanoate

• ChemBase ID: 37864
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C1NCCC(C1)CCC(=O)OCC
• Canonical SMILES: CCOC(=O)CCC1CCNCC1
• InChI: InChI=1S/C10H19NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3
• InChIKey: XHMFMSVBWJZLBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(piperidin-4-yl)propanoate
• IUPAC Traditional name: ethyl 3-(piperidin-4-yl)propanoate
• Synonyms: Ethyl 3-piperidin-4-ylpropanoate

Database IDs

• MDL Number: MFCD12028379
• PubChem SID: 161001171
• PubChem CID: 10012639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2154837
• LogD (pH = 7.4): -1.7591568
• Log P: 1.0161043
• Molar Refractivity: 51.7691 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false