tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane

C20H33FN2OSi — CID 20785610

IUPACtert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(F)c(N2CCNCC2)c1)C1CC1
InChIInChI=1S/C20H33FN2OSi/c1-20(2,3)25(4,5)24-19(15-6-7-15)16-8-9-17(21)18(14-16)23-12-10-22-11-13-23/h8-9,14-15,19,22H,6-7,10-13H2,1-5H3
InChIKeyJVPURHBZPLEKAO-UHFFFAOYSA-N
MW364.58 g/mol
LogP4.71
Rot. Bonds5

About tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane

tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane (PubChem CID 20785610) has the molecular formula C20H33FN2OSi and a molecular weight of 364.58 g/mol. Its IUPAC name is tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane
PubChem CID20785610
Molecular FormulaC20H33FN2OSi
Molecular Weight364.58 g/mol
Exact Mass364.23
IUPAC Nametert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccc(F)c(N2CCNCC2)c1)C1CC1
InChIInChI=1S/C20H33FN2OSi/c1-20(2,3)25(4,5)24-19(15-6-7-15)16-8-9-17(21)18(14-16)23-12-10-22-11-13-23/h8-9,14-15,19,22H,6-7,10-13H2,1-5H3
InChIKeyJVPURHBZPLEKAO-UHFFFAOYSA-N
XLogP4.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane (CID 20785610) is tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC(c1ccc(F)c(N2CCNCC2)c1)C1CC1.
What is the InChIKey of tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane?
The InChIKey is JVPURHBZPLEKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN2OSi/c1-20(2,3)25(4,5)24-19(15-6-7-15)16-8-9-17(21)18(14-16)23-12-10-22-11-13-23/h8-9,14-15,19,22H,6-7,10-13H2,1-5H3.
What are the key properties of tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane?
tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane has a molecular weight of 364.58 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methoxy]-dimethylsilane is sourced from PubChem (CID 20785610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).