N-[3-(piperidin-4-yloxy)phenyl]acetamide hydrochloride

• ChemBase ID: 20959
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: N1CCC(Oc2cccc(c2)NC(=O)C)CC1.Cl
• Canonical SMILES: CC(=O)Nc1cccc(c1)OC1CCNCC1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c1-10(16)15-11-3-2-4-13(9-11)17-12-5-7-14-8-6-12;/h2-4,9,12,14H,5-8H2,1H3,(H,15,16);1H
• InChIKey: MTXDWISECYMVMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(piperidin-4-yloxy)phenyl]acetamide hydrochloride
• IUPAC Traditional name: N-[3-(piperidin-4-yloxy)phenyl]acetamide hydrochloride
• Synonyms: N-[3-(4-Piperidinyloxy)phenyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD09879220
• PubChem SID: 160984266
• PubChem CID: 45075445

CALCULATED PROPERTIES

• Acid pKa: 13.94166
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5103555
• LogD (pH = 7.4): -1.6660361
• Log P: 0.6970431
• Molar Refractivity: 67.5406 cm^3
• Polarizability: 25.887363 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false