[1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane

C16H25F3N2OSi — CID 11371414

IUPAC[1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C16H25F3N2OSi/c1-23(2,3)22-15(16(17,18)19)21-11-9-20(10-12-21)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyAZONQAJEJDTHSU-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.54
Rot. Bonds5

About [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane

[1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane (PubChem CID 11371414) has the molecular formula C16H25F3N2OSi and a molecular weight of 346.47 g/mol. Its IUPAC name is [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane
PubChem CID11371414
Molecular FormulaC16H25F3N2OSi
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name[1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane
SMILESC[Si](C)(C)OC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C16H25F3N2OSi/c1-23(2,3)22-15(16(17,18)19)21-11-9-20(10-12-21)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKeyAZONQAJEJDTHSU-UHFFFAOYSA-N
XLogP3.54
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.54
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 [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?
The IUPAC name of [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane (CID 11371414) is [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane.
What is the SMILES notation for [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?
The canonical SMILES for [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane is C[Si](C)(C)OC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?
The InChIKey is AZONQAJEJDTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2OSi/c1-23(2,3)22-15(16(17,18)19)21-11-9-20(10-12-21)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3.
What are the key properties of [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane?
[1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane has a molecular weight of 346.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethoxy]-trimethylsilane is sourced from PubChem (CID 11371414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).