1-[2-(trimethylsilyl)ethynyl]piperidine

• ChemBase ID: 276797
• Molecular Formular: C10H19NSi
• Molecular Mass: 181.35006
• Monoisotopic Mass: 181.12867615
• SMILES: C(#C[Si](C)(C)C)N1CCCCC1
• Canonical SMILES: C[Si](C#CN1CCCCC1)(C)C
• InChI: InChI=1S/C10H19NSi/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H2,1-3H3
• InChIKey: RUFHHWKTMCISMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(trimethylsilyl)ethynyl]piperidine
• IUPAC Traditional name: 1-[2-(trimethylsilyl)ethynyl]piperidine
• Synonyms: 1-[2-(trimethylsilyl)ethynyl]piperidine

Database IDs

• MDL Number: MFCD19382299
• PubChem SID: 164332707
• PubChem CID: 5323957

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.4878459
• LogD (pH = 7.4): 1.150834
• Log P: 2.9873
• Molar Refractivity: 48.4807 cm^3
• Polarizability: 21.394695 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.253

Product Information

• Purity: 95%