1-[4-(trimethylsilyl)phenyl]piperazine

• ChemBase ID: 87702
• Molecular Formular: C13H22N2Si
• Molecular Mass: 234.41268
• Monoisotopic Mass: 234.15522525
• SMILES: N1(c2ccc(cc2)[Si](C)(C)C)CCNCC1
• Canonical SMILES: C[Si](c1ccc(cc1)N1CCNCC1)(C)C
• InChI: InChI=1S/C13H22N2Si/c1-16(2,3)13-6-4-12(5-7-13)15-10-8-14-9-11-15/h4-7,14H,8-11H2,1-3H3
• InChIKey: AKRIFFWDLAVYIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(trimethylsilyl)phenyl]piperazine
• IUPAC Traditional name: 1-[4-(trimethylsilyl)phenyl]piperazine
• Synonyms: 1-(4-Trimethylsilylphenyl)piperazine

Database IDs

• CAS Number: 496808-09-4
• MDL Number: MFCD02093557
• PubChem SID: 162074742
• PubChem CID: 2737341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15331712
• LogD (pH = 7.4): 1.83818
• Log P: 3.3355
• Molar Refractivity: 67.3056 cm^3
• Polarizability: 28.113108 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant