1-(piperidin-1-yl)ethan-1-one

• ChemBase ID: 293492
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: CC(=O)N1CCCCC1
• Canonical SMILES: CC(=O)N1CCCCC1
• InChI: InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
• InChIKey: KDISMIMTGUMORD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-1-yl)ethan-1-one
• IUPAC Traditional name: 1-acetylpiperidine
• Synonyms: 1-(Piperidin-1-yl)ethanone

Database IDs

• CAS Number: 618-42-8
• MDL Number: MFCD00006486
• PubChem SID: 180679023
• PubChem CID: 12058

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.26742986
• LogD (pH = 7.4): 0.26742995
• Log P: 0.26742995
• Molar Refractivity: 36.4013 cm^3
• Polarizability: 14.103091 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%