tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane

C25H36FNOSi — CID 135391118

IUPACtert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane
SMILESCC1CCCCN1CC(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36FNOSi/c1-21-13-11-12-18-27(21)19-22(26)20-28-29(25(2,3)4,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-10,14-17,21-22H,11-13,18-20H2,1-4H3
InChIKeyCFPGTQULJCICJF-UHFFFAOYSA-N
MW413.65 g/mol
LogP4.78
Rot. Bonds7

About tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane

tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane (PubChem CID 135391118) has the molecular formula C25H36FNOSi and a molecular weight of 413.65 g/mol. Its IUPAC name is tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane
PubChem CID135391118
Molecular FormulaC25H36FNOSi
Molecular Weight413.65 g/mol
Exact Mass413.26
IUPAC Nametert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane
SMILESCC1CCCCN1CC(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36FNOSi/c1-21-13-11-12-18-27(21)19-22(26)20-28-29(25(2,3)4,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-10,14-17,21-22H,11-13,18-20H2,1-4H3
InChIKeyCFPGTQULJCICJF-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-(2-((diphenylmethylsilyl)oxy)ethyl)-
CID 3046566
tert-butyl-[(3R,5R)-5-ethyl-5-fluoro-1-methylpiperidin-3-yl]oxy-diphenylsilane
CID 135010031
3-((Tert-butyldiphenylsilyl)oxy)-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one
CID 135391124
3-[(4-fluorophenyl)-methyl-phenylsilyl]oxy-N,N-dimethylpropan-1-amine
CID 324949
Tert-butyl-(1-fluoro-3-piperazin-2-ylpropan-2-yl)oxy-diphenylsilane
CID 66728270
tert-butyl-[(3R,4S)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
CID 156730547
Tert-butyl-(3-fluoropiperidin-4-yl)oxy-diphenylsilane
CID 156730818
Tert-butyl-[3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
CID 156730823
tert-butyl-[(3R,4S)-3-fluoropiperidin-4-yl]oxy-diphenylsilane
CID 156730829
tert-butyl-[(3S,4R)-3-fluoro-1-(3-methyloxetan-3-yl)piperidin-4-yl]oxy-diphenylsilane
CID 164883519
tert-butyl-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-diphenylsilane
CID 164883527
Tert-butyl-[1-(2,2-difluoroethyl)piperidin-3-yl]oxy-diphenylsilane
CID 166068280

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane (CID 135391118) is tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane is CC1CCCCN1CC(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane?
The InChIKey is CFPGTQULJCICJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FNOSi/c1-21-13-11-12-18-27(21)19-22(26)20-28-29(25(2,3)4,23-14-7-5-8-15-23)24-16-9-6-10-17-24/h5-10,14-17,21-22H,11-13,18-20H2,1-4H3.
What are the key properties of tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane?
tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane has a molecular weight of 413.65 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-fluoro-3-(2-methylpiperidin-1-yl)propoxy]-diphenylsilane is sourced from PubChem (CID 135391118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).