(3R)-1-benzoyl-3-methylpiperazine

• ChemBase ID: 810585
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: C1[C@H](NCCN1C(=O)c1ccccc1)C
• Canonical SMILES: C[C@H]1NCCN(C1)C(=O)c1ccccc1
• InChI: InChI=1S/C12H16N2O/c1-10-9-14(8-7-13-10)12(15)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3/t10-/m1/s1
• InChIKey: BCXBBYDLRSJZTE-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-1-benzoyl-3-methylpiperazine
• IUPAC Traditional name: (3R)-1-benzoyl-3-methylpiperazine
• Synonyms: (R)-1-BENZOYL-3-METHYLPIPERAZINE

Database IDs

• CAS Number: 357263-39-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1982168
• LogD (pH = 7.4): 0.5274386
• Log P: 1.1518849
• Molar Refractivity: 60.104 cm^3
• Polarizability: 23.16494 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%