tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane

C23H33FN2OSi — CID 58080134

IUPACtert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H](CF)CN1CCNCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33FN2OSi/c1-23(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-20(18-24)19-26-16-14-25-15-17-26/h4-13,20,25H,14-19H2,1-3H3/t20-/m1/s1
InChIKeyBAJVXFHXSKAOJR-HXUWFJFHSA-N
MW400.61 g/mol
LogP2.81
Rot. Bonds7

About tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane

tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane (PubChem CID 58080134) has the molecular formula C23H33FN2OSi and a molecular weight of 400.61 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane
PubChem CID58080134
Molecular FormulaC23H33FN2OSi
Molecular Weight400.61 g/mol
Exact Mass400.23
IUPAC Nametert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H](CF)CN1CCNCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33FN2OSi/c1-23(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-20(18-24)19-26-16-14-25-15-17-26/h4-13,20,25H,14-19H2,1-3H3/t20-/m1/s1
InChIKeyBAJVXFHXSKAOJR-HXUWFJFHSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.61
LogP ≤ 52.81
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-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane (CID 58080134) is tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane is CC(C)(C)[Si](O[C@H](CF)CN1CCNCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane?
The InChIKey is BAJVXFHXSKAOJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H33FN2OSi/c1-23(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-20(18-24)19-26-16-14-25-15-17-26/h4-13,20,25H,14-19H2,1-3H3/t20-/m1/s1.
What are the key properties of tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane?
tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane has a molecular weight of 400.61 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-fluoro-3-piperazin-1-ylpropan-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 58080134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).