tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane

C21H28FNOSi — CID 164883527

IUPACtert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1CCNC[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28FNOSi/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-20-14-15-23-16-19(20)22/h4-13,19-20,23H,14-16H2,1-3H3/t19-,20+/m0/s1
InChIKeyXNJHGTIVPKZJNL-VQTJNVASSA-N
MW357.54 g/mol
LogP3.26
Rot. Bonds4

About tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane

tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane (PubChem CID 164883527) has the molecular formula C21H28FNOSi and a molecular weight of 357.54 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane
PubChem CID164883527
Molecular FormulaC21H28FNOSi
Molecular Weight357.54 g/mol
Exact Mass357.19
IUPAC Nametert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](O[C@@H]1CCNC[C@@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28FNOSi/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-20-14-15-23-16-19(20)22/h4-13,19-20,23H,14-16H2,1-3H3/t19-,20+/m0/s1
InChIKeyXNJHGTIVPKZJNL-VQTJNVASSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane (CID 164883527) is tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane is CC(C)(C)[Si](O[C@@H]1CCNC[C@@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane?
The InChIKey is XNJHGTIVPKZJNL-VQTJNVASSA-N. The full InChI is InChI=1S/C21H28FNOSi/c1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-20-14-15-23-16-19(20)22/h4-13,19-20,23H,14-16H2,1-3H3/t19-,20+/m0/s1.
What are the key properties of tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane?
tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane has a molecular weight of 357.54 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 164883527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).