5-amino-1-ethylpiperidin-2-one

• ChemBase ID: 278550
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)CCC(C1)N)CC
• Canonical SMILES: CCN1CC(N)CCC1=O
• InChI: InChI=1S/C7H14N2O/c1-2-9-5-6(8)3-4-7(9)10/h6H,2-5,8H2,1H3
• InChIKey: RBCSGAQELOXODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-ethylpiperidin-2-one
• IUPAC Traditional name: 5-amino-1-ethylpiperidin-2-one
• Synonyms: 5-amino-1-ethylpiperidin-2-one

Database IDs

• MDL Number: MFCD19982590
• PubChem SID: 164334460
• PubChem CID: 54594915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7142496
• LogD (pH = 7.4): -2.7026608
• Log P: -0.736342
• Molar Refractivity: 39.5232 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.284

Product Information

• Purity: 95%