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

• ChemBase ID: 46556
• Molecular Formular: C15H23ClN2O2
• Molecular Mass: 298.80832
• Monoisotopic Mass: 298.14480567
• SMILES: C(=O)(Nc1cc(OCCC2CNCCC2)ccc1)C.Cl
• Canonical SMILES: CC(=O)Nc1cccc(c1)OCCC1CCCNC1.Cl
• InChI: InChI=1S/C15H22N2O2.ClH/c1-12(18)17-14-5-2-6-15(10-14)19-9-7-13-4-3-8-16-11-13;/h2,5-6,10,13,16H,3-4,7-9,11H2,1H3,(H,17,18);1H
• InChIKey: CMEWRLVPQCDHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13560443
• PubChem SID: 162051319
• PubChem CID: 56830216

CALCULATED PROPERTIES

• Acid pKa: 13.943528
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.6321095
• LogD (pH = 7.4): -1.2560564
• Log P: 1.6022125
• Molar Refractivity: 76.9596 cm^3
• Polarizability: 29.5711 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