1-[2-(methylamino)ethyl]piperidin-2-one

• ChemBase ID: 307319
• Molecular Formular: C8H16N2O
• Molecular Mass: 156.22544
• Monoisotopic Mass: 156.12626314
• SMILES: N1(C(=O)CCCC1)CCNC
• Canonical SMILES: CNCCN1CCCCC1=O
• InChI: InChI=1S/C8H16N2O/c1-9-5-7-10-6-3-2-4-8(10)11/h9H,2-7H2,1H3
• InChIKey: NYHLPFBUFMSXAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(methylamino)ethyl]piperidin-2-one
• IUPAC Traditional name: 1-[2-(methylamino)ethyl]piperidin-2-one
• Synonyms: 1-[2-(methylamino)ethyl]piperidin-2-one

Database IDs

• MDL Number: MFCD08691576

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4565525
• LogD (pH = 7.4): -2.405617
• Log P: -0.27576798
• Molar Refractivity: 44.48 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 32.34 Å^2