2-chloro-N-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 45663
• Molecular Formular: C7H14Cl2N2O
• Molecular Mass: 213.10486
• Monoisotopic Mass: 212.04831844
• SMILES: C(=O)(NC1CCNCC1)CCl.Cl
• Canonical SMILES: ClCC(=O)NC1CCNCC1.Cl
• InChI: InChI=1S/C7H13ClN2O.ClH/c8-5-7(11)10-6-1-3-9-4-2-6;/h6,9H,1-5H2,(H,10,11);1H
• InChIKey: SBUAUQPVXPUZPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: 2-Chloro-N-(4-piperidinyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13559703
• PubChem SID: 162050426
• PubChem CID: 53409121

CALCULATED PROPERTIES

• Acid pKa: 13.190026
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8457098
• LogD (pH = 7.4): -3.1613476
• Log P: -0.6255103
• Molar Refractivity: 44.2722 cm^3
• Polarizability: 17.496271 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false