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

• ChemBase ID: 47249
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: C(=O)(Nc1ccc(OC2CNCCC2)cc1)C.Cl
• Canonical SMILES: CC(=O)Nc1ccc(cc1)OC1CCCNC1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c1-10(16)15-11-4-6-12(7-5-11)17-13-3-2-8-14-9-13;/h4-7,13-14H,2-3,8-9H2,1H3,(H,15,16);1H
• InChIKey: ZFTDNOXXCDATPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561123
• PubChem SID: 162052012
• PubChem CID: 56831107

CALCULATED PROPERTIES

• Acid pKa: 14.963633
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0137267
• LogD (pH = 7.4): -0.8944041
• Log P: 1.154446
• Molar Refractivity: 67.3198 cm^3
• Polarizability: 25.88656 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