N-{3-[2-(piperidin-2-yl)ethoxy]phenyl}acetamide hydrochloride

• ChemBase ID: 46557
• Molecular Formular: C15H23ClN2O2
• Molecular Mass: 298.80832
• Monoisotopic Mass: 298.14480567
• SMILES: C(=O)(Nc1cc(OCCC2NCCCC2)ccc1)C.Cl
• Canonical SMILES: CC(=O)Nc1cccc(c1)OCCC1CCCCN1.Cl
• InChI: InChI=1S/C15H22N2O2.ClH/c1-12(18)17-14-6-4-7-15(11-14)19-10-8-13-5-2-3-9-16-13;/h4,6-7,11,13,16H,2-3,5,8-10H2,1H3,(H,17,18);1H
• InChIKey: XEHBRYRLYSCPNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(piperidin-2-yl)ethoxy]phenyl}acetamide hydrochloride
• IUPAC Traditional name: N-{3-[2-(piperidin-2-yl)ethoxy]phenyl}acetamide hydrochloride
• Synonyms: N-{3-[2-(2-Piperidinyl)ethoxy]phenyl}acetamide hydrochloride

Database IDs

• MDL Number: MFCD13560444
• PubChem SID: 162051320
• PubChem CID: 56830218

CALCULATED PROPERTIES

• Acid pKa: 13.943425
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5665601
• LogD (pH = 7.4): -0.97365594
• Log P: 1.6589744
• Molar Refractivity: 76.7862 cm^3
• Polarizability: 29.571098 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