N-[2-(piperidin-4-yl)ethyl]acetamide dihydrochloride

• ChemBase ID: 62570
• Molecular Formular: C9H20Cl2N2O
• Molecular Mass: 243.1739
• Monoisotopic Mass: 242.09526863
• SMILES: C(=O)(NCCC1CCNCC1)C.Cl.Cl
• Canonical SMILES: CC(=O)NCCC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C9H18N2O.2ClH/c1-8(12)11-7-4-9-2-5-10-6-3-9;;/h9-10H,2-7H2,1H3,(H,11,12);2*1H
• InChIKey: KWLNDXJQMQOSTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(piperidin-4-yl)ethyl]acetamide dihydrochloride
• IUPAC Traditional name: N-[2-(piperidin-4-yl)ethyl]acetamide dihydrochloride
• Synonyms: N-(2-Piperidin-4-yl-ethyl)-acetamide dihydrochloride

Database IDs

• MDL Number: MFCD21606017
• PubChem SID: 162028309
• PubChem CID: 71298762

CALCULATED PROPERTIES

• Acid pKa: 16.383463
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5672257
• LogD (pH = 7.4): -3.1108677
• Log P: -0.3356384
• Molar Refractivity: 49.015 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