ethyl 3-(piperidin-4-yl)propanoate hydrochloride

• ChemBase ID: 241861
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: C(=O)(CCC1CCNCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)CCC1CCNCC1.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)4-3-9-5-7-11-8-6-9;/h9,11H,2-8H2,1H3;1H
• InChIKey: QUXBQANXXKTODS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 473987-06-3
• MDL Number: MFCD17169869
• PubChem SID: 164297771
• PubChem CID: 23062703

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

Physical Property

• Hydrophobicity(logP): 1.471

Product Information

• Purity: 95%; 98%