benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate

C21H32F3NO3Si — CID 67401817

IUPACbenzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC(C1CCN(C(=O)OCc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C21H32F3NO3Si/c1-4-29(5-2,6-3)28-19(21(22,23)24)18-12-14-25(15-13-18)20(26)27-16-17-10-8-7-9-11-17/h7-11,18-19H,4-6,12-16H2,1-3H3
InChIKeyMQMJGUKSQFHEKW-UHFFFAOYSA-N
MW431.57 g/mol
LogP5.99
Rot. Bonds8

About benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate

benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate (PubChem CID 67401817) has the molecular formula C21H32F3NO3Si and a molecular weight of 431.57 g/mol. Its IUPAC name is benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
PubChem CID67401817
Molecular FormulaC21H32F3NO3Si
Molecular Weight431.57 g/mol
Exact Mass431.21
IUPAC Namebenzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)OC(C1CCN(C(=O)OCc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C21H32F3NO3Si/c1-4-29(5-2,6-3)28-19(21(22,23)24)18-12-14-25(15-13-18)20(26)27-16-17-10-8-7-9-11-17/h7-11,18-19H,4-6,12-16H2,1-3H3
InChIKeyMQMJGUKSQFHEKW-UHFFFAOYSA-N
XLogP5.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 55.99
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

benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
CID 67401396
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170639553
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
benzyl 4-(1-ethoxy-1,4-dioxopentan-2-yl)piperidine-1-carboxylate
CID 67438602
benzyl (3R)-3-[(1S)-1-aminoethyl]pyrrolidine-1-carboxylate
CID 86674568
benzyl 4-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylate
CID 70855943
benzyl 4-[(1S)-1-(ethylamino)-3-hydroxypropyl]piperidine-1-carboxylate
CID 97177469
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[ethyl(methylsulfanyl)amino]piperidine-1-carboxylate
CID 143775945

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate (CID 67401817) is benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate is CC[Si](CC)(CC)OC(C1CCN(C(=O)OCc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
The InChIKey is MQMJGUKSQFHEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3NO3Si/c1-4-29(5-2,6-3)28-19(21(22,23)24)18-12-14-25(15-13-18)20(26)27-16-17-10-8-7-9-11-17/h7-11,18-19H,4-6,12-16H2,1-3H3.
What are the key properties of benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate?
benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate has a molecular weight of 431.57 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 67401817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).