1-[4-(chloromethyl)benzoyl]-2,6-dimethylpiperidine

• ChemBase ID: 81166
• Molecular Formular: C15H20ClNO
• Molecular Mass: 265.7784
• Monoisotopic Mass: 265.12334195
• SMILES: N1(C(=O)c2ccc(cc2)CCl)C(CCCC1C)C
• Canonical SMILES: ClCc1ccc(cc1)C(=O)N1C(C)CCCC1C
• InChI: InChI=1S/C15H20ClNO/c1-11-4-3-5-12(2)17(11)15(18)14-8-6-13(10-16)7-9-14/h6-9,11-12H,3-5,10H2,1-2H3
• InChIKey: MNWWXFPCHXGIGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(chloromethyl)benzoyl]-2,6-dimethylpiperidine
• IUPAC Traditional name: 1-[4-(chloromethyl)benzoyl]-2,6-dimethylpiperidine
• Synonyms: [4-(chloromethyl)phenyl](2,6-dimethylpiperidino)methanone

Database IDs

• MDL Number: MFCD01566183
• PubChem SID: 162068285
• PubChem CID: 592796

CALCULATED PROPERTIES

• Log P: 3.5419965
• Molar Refractivity: 75.7763 cm^3
• Polarizability: 28.973557 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5419939
• LogD (pH = 7.4): 3.5419965