N-methyl-N-(piperidin-4-yl)acetamide hydrochloride

• ChemBase ID: 264309
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: N(C(=O)C)(C1CCNCC1)C.Cl
• Canonical SMILES: CN(C(=O)C)C1CCNCC1.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-7(11)10(2)8-3-5-9-6-4-8;/h8-9H,3-6H2,1-2H3;1H
• InChIKey: YLGIOTWTHLSHOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(piperidin-4-yl)acetamide hydrochloride
• IUPAC Traditional name: N-methyl-N-(piperidin-4-yl)acetamide hydrochloride
• Synonyms: N-methyl-N-(piperidin-4-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13196313
• PubChem SID: 164320219
• PubChem CID: 22061317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1593447
• LogD (pH = 7.4): -3.4744594
• Log P: -0.939178
• Molar Refractivity: 44.4157 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 208 - 210°C
• Hydrophobicity(logP): -1.19

Product Information

• Purity: 95%