1-(dimethylamino)piperidin-4-one

• ChemBase ID: 309763
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(N(C)C)CCC(=O)CC1
• Canonical SMILES: CN(N1CCC(=O)CC1)C
• InChI: InChI=1S/C7H14N2O/c1-8(2)9-5-3-7(10)4-6-9/h3-6H2,1-2H3
• InChIKey: GFDHCVUNDUBQCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)piperidin-4-one
• IUPAC Traditional name: 1-(dimethylamino)piperidin-4-one
• Synonyms: 1-(dimethylamino)-4-piperidinone

Database IDs

• MDL Number: MFCD19982751

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7243547
• LogD (pH = 7.4): -0.7193509
• Log P: -0.71928674
• Molar Refractivity: 40.2622 cm^3
• Polarizability: 15.82021 Å^3
• Polar Surface Area: 23.55 Å^2