N-[2-(piperidin-2-yl)ethyl]acetamide dihydrochloride

• ChemBase ID: 63028
• Molecular Formular: C9H20Cl2N2O
• Molecular Mass: 243.1739
• Monoisotopic Mass: 242.09526863
• SMILES: C(=O)(NCCC1NCCCC1)C.Cl.Cl
• Canonical SMILES: CC(=O)NCCC1CCCCN1.Cl.Cl
• InChI: InChI=1S/C9H18N2O.2ClH/c1-8(12)10-7-5-9-4-2-3-6-11-9;;/h9,11H,2-7H2,1H3,(H,10,12);2*1H
• InChIKey: ZDODUKKFYOOFHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(piperidin-2-yl)ethyl]acetamide dihydrochloride
• IUPAC Traditional name: N-[2-(piperidin-2-yl)ethyl]acetamide dihydrochloride
• Synonyms: N-(2-Piperidin-2-yl-ethyl)-acetamide dihydrochloride

Database IDs

• MDL Number: MFCD21606260
• PubChem SID: 162028767
• PubChem CID: 71298985

CALCULATED PROPERTIES

• Acid pKa: 16.381601
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4313867
• LogD (pH = 7.4): -2.946056
• Log P: -0.20092274
• Molar Refractivity: 48.7646 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false