benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate

C20H30F3NO3Si — CID 142602887

IUPACbenzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1(C(F)(F)F)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H30F3NO3Si/c1-4-28(5-2,6-3)27-19(20(21,22)23)12-14-24(15-13-19)18(25)26-16-17-10-8-7-9-11-17/h7-11H,4-6,12-16H2,1-3H3
InChIKeyCWQGKZQOOLUMHK-UHFFFAOYSA-N
MW417.54 g/mol
LogP5.74
Rot. Bonds7

About benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate

benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 142602887) has the molecular formula C20H30F3NO3Si and a molecular weight of 417.54 g/mol. Its IUPAC name is benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID142602887
Molecular FormulaC20H30F3NO3Si
Molecular Weight417.54 g/mol
Exact Mass417.19
IUPAC Namebenzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC1(C(F)(F)F)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H30F3NO3Si/c1-4-28(5-2,6-3)27-19(20(21,22)23)12-14-24(15-13-19)18(25)26-16-17-10-8-7-9-11-17/h7-11H,4-6,12-16H2,1-3H3
InChIKeyCWQGKZQOOLUMHK-UHFFFAOYSA-N
XLogP5.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.54
LogP ≤ 55.74
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 benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate (CID 142602887) is benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate is CC[Si](CC)(CC)OC1(C(F)(F)F)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is CWQGKZQOOLUMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO3Si/c1-4-28(5-2,6-3)27-19(20(21,22)23)12-14-24(15-13-19)18(25)26-16-17-10-8-7-9-11-17/h7-11H,4-6,12-16H2,1-3H3.
What are the key properties of benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate?
benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 417.54 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-triethylsilyloxy-4-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 142602887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).