5-aminopiperidin-2-one

• ChemBase ID: 264793
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: N1C(=O)CCC(C1)N
• Canonical SMILES: NC1CCC(=O)NC1
• InChI: InChI=1S/C5H10N2O/c6-4-1-2-5(8)7-3-4/h4H,1-3,6H2,(H,7,8)
• InChIKey: APDCFRUAEFSNPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopiperidin-2-one
• IUPAC Traditional name: 5-aminopiperidin-2-one
• Synonyms: 5-aminopiperidin-2-one

Database IDs

• MDL Number: MFCD12024795
• PubChem SID: 164320703
• PubChem CID: 18451415

CALCULATED PROPERTIES

• Acid pKa: 14.79429
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2956786
• LogD (pH = 7.4): -3.2903671
• Log P: -1.316826
• Molar Refractivity: 29.8779 cm^3
• Polarizability: 11.95924 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.458

Product Information

• Purity: 95%