1-aminopiperidin-2-one

• ChemBase ID: 266992
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: N1(C(=O)CCCC1)N
• Canonical SMILES: NN1CCCCC1=O
• InChI: InChI=1S/C5H10N2O/c6-7-4-2-1-3-5(7)8/h1-4,6H2
• InChIKey: MDCDHGVIPGMQNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminopiperidin-2-one
• IUPAC Traditional name: 1-aminopiperidin-2-one
• Synonyms: 1-aminopiperidin-2-one

Database IDs

• MDL Number: MFCD07786588
• PubChem SID: 164322902
• PubChem CID: 13345717

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.44038254
• LogD (pH = 7.4): -0.4316291
• Log P: -0.43151632
• Molar Refractivity: 31.343 cm^3
• Polarizability: 11.862813 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.674

Product Information

• Purity: 95%