2-methoxy-N-[2-(piperidin-3-yl)ethyl]acetamide hydrochloride

• ChemBase ID: 62933
• Molecular Formular: C10H21ClN2O2
• Molecular Mass: 236.73894
• Monoisotopic Mass: 236.1291556
• SMILES: C(=O)(NCCC1CNCCC1)COC.Cl
• Canonical SMILES: COCC(=O)NCCC1CCCNC1.Cl
• InChI: InChI=1S/C10H20N2O2.ClH/c1-14-8-10(13)12-6-4-9-3-2-5-11-7-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
• InChIKey: WQARNWKSJSVZAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-(piperidin-3-yl)ethyl]acetamide hydrochloride
• IUPAC Traditional name: 2-methoxy-N-[2-(piperidin-3-yl)ethyl]acetamide hydrochloride
• Synonyms: 2-Methoxy-N-(2-piperidin-3-yl-ethyl)-acetamide hydrochloride

Database IDs

• MDL Number: MFCD21606185
• PubChem SID: 162028672
• PubChem CID: 71298909

CALCULATED PROPERTIES

• Acid pKa: 15.6673
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6586518
• LogD (pH = 7.4): -3.0917366
• Log P: -0.4318062
• Molar Refractivity: 55.3914 cm^3
• Polarizability: 21.854008 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false