cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone

C17H30F3NO2Si — CID 67402240

IUPACcyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone
SMILESCC[Si](CC)(CC)OC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F
InChIInChI=1S/C17H30F3NO2Si/c1-4-24(5-2,6-3)23-15(17(18,19)20)13-9-11-21(12-10-13)16(22)14-7-8-14/h13-15H,4-12H2,1-3H3
InChIKeyXXERCFLBUJVRQV-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.59
Rot. Bonds7

About cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone

cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone (PubChem CID 67402240) has the molecular formula C17H30F3NO2Si and a molecular weight of 365.51 g/mol. Its IUPAC name is cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone
PubChem CID67402240
Molecular FormulaC17H30F3NO2Si
Molecular Weight365.51 g/mol
Exact Mass365.20
IUPAC Namecyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone
SMILESCC[Si](CC)(CC)OC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F
InChIInChI=1S/C17H30F3NO2Si/c1-4-24(5-2,6-3)23-15(17(18,19)20)13-9-11-21(12-10-13)16(22)14-7-8-14/h13-15H,4-12H2,1-3H3
InChIKeyXXERCFLBUJVRQV-UHFFFAOYSA-N
XLogP4.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
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 cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone (CID 67402240) is cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone is CC[Si](CC)(CC)OC(C1CCN(C(=O)C2CC2)CC1)C(F)(F)F.
What is the InChIKey of cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone?
The InChIKey is XXERCFLBUJVRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3NO2Si/c1-4-24(5-2,6-3)23-15(17(18,19)20)13-9-11-21(12-10-13)16(22)14-7-8-14/h13-15H,4-12H2,1-3H3.
What are the key properties of cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone has a molecular weight of 365.51 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 67402240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).