N-{4-[2-(piperidin-4-yl)ethoxy]phenyl}acetamide hydrochloride

• ChemBase ID: 46622
• Molecular Formular: C15H23ClN2O2
• Molecular Mass: 298.80832
• Monoisotopic Mass: 298.14480567
• SMILES: C(=O)(Nc1ccc(cc1)OCCC1CCNCC1)C.Cl
• Canonical SMILES: CC(=O)Nc1ccc(cc1)OCCC1CCNCC1.Cl
• InChI: InChI=1S/C15H22N2O2.ClH/c1-12(18)17-14-2-4-15(5-3-14)19-11-8-13-6-9-16-10-7-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H
• InChIKey: NSQKUPBLSWHBNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(piperidin-4-yl)ethoxy]phenyl}acetamide hydrochloride
• IUPAC Traditional name: N-{4-[2-(piperidin-4-yl)ethoxy]phenyl}acetamide hydrochloride
• Synonyms: N-{4-[2-(4-Piperidinyl)ethoxy]phenyl}acetamide hydrochloride

Database IDs

• MDL Number: MFCD13560510
• PubChem SID: 162051385
• PubChem CID: 56830303

CALCULATED PROPERTIES

• Acid pKa: 14.978027
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7073269
• LogD (pH = 7.4): -1.2509367
• Log P: 1.5242587
• Molar Refractivity: 77.0366 cm^3
• Polarizability: 29.570341 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false