N,N-dimethyl-2-(piperidin-4-yl)acetamide

• ChemBase ID: 308987
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(N(C)C)CC1CCNCC1
• Canonical SMILES: CN(C(=O)CC1CCNCC1)C
• InChI: InChI=1S/C9H18N2O/c1-11(2)9(12)7-8-3-5-10-6-4-8/h8,10H,3-7H2,1-2H3
• InChIKey: QLGTUZHDVFYBCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(piperidin-4-yl)acetamide
• IUPAC Traditional name: N,N-dimethyl-2-(piperidin-4-yl)acetamide
• Synonyms: N,N-dimethyl-2-(4-piperidinyl)acetamide

Database IDs

• CAS Number: 138304-77-5
• MDL Number: MFCD09944415

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.512152
• LogD (pH = 7.4): -2.8465707
• Log P: -0.29075682
• Molar Refractivity: 49.266 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 32.34 Å^2