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

• ChemBase ID: 46624
• Molecular Formular: C15H23ClN2O2
• Molecular Mass: 298.80832
• Monoisotopic Mass: 298.14480567
• SMILES: C(=O)(Nc1ccc(cc1)OCCC1NCCCC1)C.Cl
• Canonical SMILES: CC(=O)Nc1ccc(cc1)OCCC1CCCCN1.Cl
• InChI: InChI=1S/C15H22N2O2.ClH/c1-12(18)17-14-5-7-15(8-6-14)19-11-9-13-4-2-3-10-16-13;/h5-8,13,16H,2-4,9-11H2,1H3,(H,17,18);1H
• InChIKey: VDDPPQQTVIVEQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13560512
• PubChem SID: 162051387
• PubChem CID: 56830307

CALCULATED PROPERTIES

• Acid pKa: 14.977858
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5665603
• LogD (pH = 7.4): -0.97365755
• Log P: 1.6589744
• Molar Refractivity: 76.7862 cm^3
• Polarizability: 29.57034 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