(3R)-1-benzyl-3-methylpiperazine

• ChemBase ID: 813355
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: C1[C@H](NCCN1Cc1ccccc1)C
• Canonical SMILES: C[C@H]1NCCN(C1)Cc1ccccc1
• InChI: InChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m1/s1
• InChIKey: QOFUDSPYJDXBOF-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-1-benzyl-3-methylpiperazine
• IUPAC Traditional name: (3R)-1-benzyl-3-methylpiperazine
• Synonyms: 1-BENZYL-3(R)-METHYL-PIPERAZINE

Database IDs

• CAS Number: 132871-11-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6043661
• LogD (pH = 7.4): -0.28553608
• Log P: 1.7952893
• Molar Refractivity: 59.7749 cm^3
• Polarizability: 23.75333 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%