1-(piperidin-3-yl)propan-1-one

• ChemBase ID: 306870
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: C(=O)(C1CNCCC1)CC
• Canonical SMILES: CCC(=O)C1CCCNC1
• InChI: InChI=1S/C8H15NO/c1-2-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3
• InChIKey: LLMKXWOGGBBSTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(piperidin-3-yl)propan-1-one
• IUPAC Traditional name: 1-(piperidin-3-yl)propan-1-one
• Synonyms: 1-piperidin-3-ylpropan-1-one

Database IDs

• CAS Number: 1177307-97-9
• MDL Number: MFCD09864249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1371734
• LogD (pH = 7.4): -1.2544491
• Log P: 1.066301
• Molar Refractivity: 41.0993 cm^3
• Polarizability: 16.334124 Å^3
• Polar Surface Area: 29.1 Å^2