1-benzyl-2,5-dimethylpiperazine

• ChemBase ID: 242314
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(Cc2ccccc2)CC(NCC1C)C
• Canonical SMILES: CC1CNC(CN1Cc1ccccc1)C
• InChI: InChI=1S/C13H20N2/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
• InChIKey: WJTCHBVEUFDSIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2,5-dimethylpiperazine
• IUPAC Traditional name: 1-benzyl-2,5-dimethylpiperazine
• Synonyms: 1-benzyl-2,5-dimethylpiperazine

Database IDs

• MDL Number: MFCD12761573
• PubChem SID: 164298224
• PubChem CID: 21994188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3246078
• LogD (pH = 7.4): -0.052691672
• Log P: 2.2118642
• Molar Refractivity: 64.1937 cm^3
• Polarizability: 25.60032 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%