2-chloro-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]acetamide hydrochloride

• ChemBase ID: 240659
• Molecular Formular: C16H24Cl2N2O2
• Molecular Mass: 347.27996
• Monoisotopic Mass: 346.12148338
• SMILES: N1(C(CNC(=O)CCl)c2ccc(cc2)OC)CCCCC1.Cl
• Canonical SMILES: ClCC(=O)NCC(c1ccc(cc1)OC)N1CCCCC1.Cl
• InChI: InChI=1S/C16H23ClN2O2.ClH/c1-21-14-7-5-13(6-8-14)15(12-18-16(20)11-17)19-9-3-2-4-10-19;/h5-8,15H,2-4,9-12H2,1H3,(H,18,20);1H
• InChIKey: BMPWFPFUSZGEFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethyl]acetamide hydrochloride
• Synonyms: 2-chloro-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD07289417
• PubChem SID: 164296569
• PubChem CID: 16245732

CALCULATED PROPERTIES

• Acid pKa: 13.33527
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.29245082
• LogD (pH = 7.4): 1.9045488
• Log P: 2.2263112
• Molar Refractivity: 85.0229 cm^3
• Polarizability: 33.246468 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.788

Product Information

• Purity: 95%
• Salt Data: HCl