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

C24H32FNO2Si — CID 175881608

IUPACtert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CCN(C2COC2)C[C@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32FNO2Si/c1-24(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-23-14-15-26(16-22(23)25)19-17-27-18-19/h4-13,19,22-23H,14-18H2,1-3H3/t22-,23+/m1/s1
InChIKeyJARLBEKCCUOLPH-PKTZIBPZSA-N
MW413.61 g/mol
LogP3.37
Rot. Bonds5

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

tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane (PubChem CID 175881608) has the molecular formula C24H32FNO2Si and a molecular weight of 413.61 g/mol. Its IUPAC name is tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
PubChem CID175881608
Molecular FormulaC24H32FNO2Si
Molecular Weight413.61 g/mol
Exact Mass413.22
IUPAC Nametert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CCN(C2COC2)C[C@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32FNO2Si/c1-24(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-23-14-15-26(16-22(23)25)19-17-27-18-19/h4-13,19,22-23H,14-18H2,1-3H3/t22-,23+/m1/s1
InChIKeyJARLBEKCCUOLPH-PKTZIBPZSA-N
XLogP3.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 135010031
CID 135010031
CID 135391118
CID 135391118
CID 156730547
CID 156730547
CID 156730687
CID 156730687
CID 156730823
CID 156730823
CID 156730906
CID 156730906
CID 164883519
CID 164883519
CID 164883523
CID 164883523
CID 166068280
CID 166068280
CID 167326638
CID 167326638
CID 168180973
CID 168180973
CID 172536646
CID 172536646

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane (CID 175881608) is tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane is CC(C)(C)[Si](O[C@H]1CCN(C2COC2)C[C@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
The InChIKey is JARLBEKCCUOLPH-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H32FNO2Si/c1-24(2,3)29(20-10-6-4-7-11-20,21-12-8-5-9-13-21)28-23-14-15-26(16-22(23)25)19-17-27-18-19/h4-13,19,22-23H,14-18H2,1-3H3/t22-,23+/m1/s1.
What are the key properties of tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane?
tert-butyl-[(3R,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane has a molecular weight of 413.61 g/mol, XLogP of 3.37, 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-(oxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 175881608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).