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

• ChemBase ID: 242300
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: C(=O)(CCC1CNCCC1)OCC.Cl
• Canonical SMILES: CCOC(=O)CCC1CCCNC1.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)6-5-9-4-3-7-11-8-9;/h9,11H,2-8H2,1H3;1H
• InChIKey: BJRCKVQDAJMIGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22566022
• PubChem SID: 164298210
• PubChem CID: 71756985

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1403148
• LogD (pH = 7.4): -1.765911
• Log P: 1.094058
• Molar Refractivity: 51.6921 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

• Melting Point: 72 - 74°C
• Hydrophobicity(logP): 1.471

Product Information

• Purity: 95%