1-benzyl-2,2-dimethylpiperazine

• ChemBase ID: 270614
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(C(CNCC1)(C)C)Cc1ccccc1
• Canonical SMILES: CC1(C)CNCCN1Cc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-13(2)11-14-8-9-15(13)10-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3
• InChIKey: ZDYGXJLQTUNTKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2,2-dimethylpiperazine
• IUPAC Traditional name: 1-benzyl-2,2-dimethylpiperazine
• Synonyms: 1-benzyl-2,2-dimethylpiperazine

Database IDs

• MDL Number: MFCD11847783
• PubChem SID: 164326524
• PubChem CID: 50987578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4818153
• LogD (pH = 7.4): -0.22234188
• Log P: 2.075866
• Molar Refractivity: 64.4131 cm^3
• Polarizability: 25.600319 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.913

Product Information

• Purity: 95%