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

• ChemBase ID: 47215
• Molecular Formular: C13H19ClN2O2
• Molecular Mass: 270.75516
• Monoisotopic Mass: 270.11350554
• SMILES: C(=O)(Nc1cc(OC2CNCCC2)ccc1)C.Cl
• Canonical SMILES: CC(=O)Nc1cccc(c1)OC1CCCNC1.Cl
• InChI: InChI=1S/C13H18N2O2.ClH/c1-10(16)15-11-4-2-5-12(8-11)17-13-6-3-7-14-9-13;/h2,4-5,8,13-14H,3,6-7,9H2,1H3,(H,15,16);1H
• InChIKey: WBOOJQJRQWXUSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13561092
• PubChem SID: 162051978
• PubChem CID: 56831079

CALCULATED PROPERTIES

• Acid pKa: 13.941083
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0120513
• LogD (pH = 7.4): -0.88455546
• Log P: 1.154446
• Molar Refractivity: 67.3198 cm^3
• Polarizability: 25.887308 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