tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane

C25H34FNO2Si — CID 156730547

IUPACtert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
SMILESCC1(N2CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](F)C2)COC1
InChIInChI=1S/C25H34FNO2Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-23-15-16-27(17-22(23)26)25(4)18-28-19-25/h5-14,22-23H,15-19H2,1-4H3/t22-,23+/m1/s1
InChIKeyUZZTXVGFNFVZMC-PKTZIBPZSA-N
MW427.64 g/mol
LogP3.76
Rot. Bonds5

About tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane

tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane (PubChem CID 156730547) has the molecular formula C25H34FNO2Si and a molecular weight of 427.64 g/mol. Its IUPAC name is tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
PubChem CID156730547
Molecular FormulaC25H34FNO2Si
Molecular Weight427.64 g/mol
Exact Mass427.23
IUPAC Nametert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
SMILESCC1(N2CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](F)C2)COC1
InChIInChI=1S/C25H34FNO2Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-23-15-16-27(17-22(23)26)25(4)18-28-19-25/h5-14,22-23H,15-19H2,1-4H3/t22-,23+/m1/s1
InChIKeyUZZTXVGFNFVZMC-PKTZIBPZSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 53.76
H-Bond Donors ≤ 50
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-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane (CID 156730547) is tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane is CC1(N2CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](F)C2)COC1.
What is the InChIKey of tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
The InChIKey is UZZTXVGFNFVZMC-PKTZIBPZSA-N. The full InChI is InChI=1S/C25H34FNO2Si/c1-24(2,3)30(20-11-7-5-8-12-20,21-13-9-6-10-14-21)29-23-15-16-27(17-22(23)26)25(4)18-28-19-25/h5-14,22-23H,15-19H2,1-4H3/t22-,23+/m1/s1.
What are the key properties of tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane has a molecular weight of 427.64 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 156730547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).