1-benzoylpiperidine

• ChemBase ID: 302285
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: c1ccc(cc1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1ccccc1)N1CCCCC1
• InChI: InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
• InChIKey: YXTROGRGRSPWKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzoylpiperidine
• IUPAC Traditional name: piperidine, 1-benzoyl-
• Synonyms: 1-Benzoylpiperidine; 1-苯甲酰基哌啶

Database IDs

• CAS Number: 776-75-0
• EC Number: 212-280-3
• MDL Number: MFCD00023702
• Beilstein Number: 136611

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1216042
• LogD (pH = 7.4): 2.1216044
• Log P: 2.1216044
• Molar Refractivity: 57.0718 cm^3
• Polarizability: 21.639507 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-50°C
• Boiling Point: 180-184°C/20mm

Safety Information

• RTECS: TM4600000
• TSCA Listed: 否

Product Information

• Purity: 98%