2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride

• ChemBase ID: 242486
• Molecular Formular: C16H27Cl2N3O
• Molecular Mass: 348.31108
• Monoisotopic Mass: 347.15311786
• SMILES: C(=O)(N(C1CCN(CC1)CC)C)C(c1ccccc1)N.Cl.Cl
• Canonical SMILES: CCN1CCC(CC1)N(C(=O)C(c1ccccc1)N)C.Cl.Cl
• InChI: InChI=1S/C16H25N3O.2ClH/c1-3-19-11-9-14(10-12-19)18(2)16(20)15(17)13-7-5-4-6-8-13;;/h4-8,14-15H,3,9-12,17H2,1-2H3;2*1H
• InChIKey: YUPPKECVTZQURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride
• Synonyms: 2-amino-N-(1-ethylpiperidin-4-yl)-N-methyl-2-phenylacetamide dihydrochloride

Database IDs

• MDL Number: MFCD22566055
• PubChem SID: 164298396
• PubChem CID: 71757029

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.456077
• LogD (pH = 7.4): -1.1133391
• Log P: 0.81297743
• Molar Refractivity: 82.1766 cm^3
• Polarizability: 32.283916 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.025

Product Information

• Purity: 95%