trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane

C21H24F3N3Si — CID 141208592

IUPACtrimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(N2CCN(c3ccccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C21H24F3N3Si/c1-28(2,3)15-10-17-8-9-20(25-16-17)27-13-11-26(12-14-27)19-7-5-4-6-18(19)21(22,23)24/h4-9,16H,11-14H2,1-3H3
InChIKeyCSZJTTVVZWEIJS-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.66
Rot. Bonds2

About trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane

trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane (PubChem CID 141208592) has the molecular formula C21H24F3N3Si and a molecular weight of 403.52 g/mol. Its IUPAC name is trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane
PubChem CID141208592
Molecular FormulaC21H24F3N3Si
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC Nametrimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc(N2CCN(c3ccccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C21H24F3N3Si/c1-28(2,3)15-10-17-8-9-20(25-16-17)27-13-11-26(12-14-27)19-7-5-4-6-18(19)21(22,23)24/h4-9,16H,11-14H2,1-3H3
InChIKeyCSZJTTVVZWEIJS-UHFFFAOYSA-N
XLogP4.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane (CID 141208592) is trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane is C[Si](C)(C)C#Cc1ccc(N2CCN(c3ccccc3C(F)(F)F)CC2)nc1.
What is the InChIKey of trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane?
The InChIKey is CSZJTTVVZWEIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3Si/c1-28(2,3)15-10-17-8-9-20(25-16-17)27-13-11-26(12-14-27)19-7-5-4-6-18(19)21(22,23)24/h4-9,16H,11-14H2,1-3H3.
What are the key properties of trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane?
trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane has a molecular weight of 403.52 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[6-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-pyridinyl]ethynyl]silane is sourced from PubChem (CID 141208592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).