1-[(diethylamino)methyl]piperidin-2-one

• ChemBase ID: 86186
• Molecular Formular: C10H20N2O
• Molecular Mass: 184.2786
• Monoisotopic Mass: 184.15756327
• SMILES: N1(C(=O)CCCC1)CN(CC)CC
• Canonical SMILES: CCN(CN1CCCCC1=O)CC
• InChI: InChI=1S/C10H20N2O/c1-3-11(4-2)9-12-8-6-5-7-10(12)13/h3-9H2,1-2H3
• InChIKey: RCYVDMTWLPRTFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(diethylamino)methyl]piperidin-2-one
• IUPAC Traditional name: 1-[(diethylamino)methyl]piperidin-2-one
• Synonyms: 1-[(diethylamino)methyl]piperidin-2-one

Database IDs

• MDL Number: MFCD00277658
• PubChem SID: 162073302
• PubChem CID: 2797872

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1898041
• LogD (pH = 7.4): 0.4963863
• Log P: 0.93099684
• Molar Refractivity: 54.0814 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true