6-(2-aminoethyl)piperidin-2-one

• ChemBase ID: 276360
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1C(=O)CCCC1CCN
• Canonical SMILES: NCCC1CCCC(=O)N1
• InChI: InChI=1S/C7H14N2O/c8-5-4-6-2-1-3-7(10)9-6/h6H,1-5,8H2,(H,9,10)
• InChIKey: QWKBLMSXTQZZGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)piperidin-2-one
• IUPAC Traditional name: 6-(2-aminoethyl)piperidin-2-one
• Synonyms: 6-(2-aminoethyl)piperidin-2-one

Database IDs

• MDL Number: MFCD19382160
• PubChem SID: 164332270
• PubChem CID: 54594155

CALCULATED PROPERTIES

• Acid pKa: 14.898088
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8203666
• LogD (pH = 7.4): -3.0898547
• Log P: -0.81229764
• Molar Refractivity: 39.3443 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.638

Product Information

• Purity: 95%