trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane

C19H26N2Si — CID 119025543

IUPACtrimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C19H26N2Si/c1-22(2,3)19-10-6-17(7-11-19)16-4-8-18(9-5-16)21-14-12-20-13-15-21/h4-11,20H,12-15H2,1-3H3
InChIKeyKFEHKOZNLYFOPZ-UHFFFAOYSA-N
MW310.52 g/mol
LogP3.31
Rot. Bonds3

About trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane

trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane (PubChem CID 119025543) has the molecular formula C19H26N2Si and a molecular weight of 310.52 g/mol. Its IUPAC name is trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane
PubChem CID119025543
Molecular FormulaC19H26N2Si
Molecular Weight310.52 g/mol
Exact Mass310.19
IUPAC Nametrimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C19H26N2Si/c1-22(2,3)19-10-6-17(7-11-19)16-4-8-18(9-5-16)21-14-12-20-13-15-21/h4-11,20H,12-15H2,1-3H3
InChIKeyKFEHKOZNLYFOPZ-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane?
The IUPAC name of trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane (CID 119025543) is trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane.
What is the SMILES notation for trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane?
The canonical SMILES for trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane is C[Si](C)(C)c1ccc(-c2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane?
The InChIKey is KFEHKOZNLYFOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2Si/c1-22(2,3)19-10-6-17(7-11-19)16-4-8-18(9-5-16)21-14-12-20-13-15-21/h4-11,20H,12-15H2,1-3H3.
What are the key properties of trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane?
trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane has a molecular weight of 310.52 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4-piperazin-1-ylphenyl)phenyl]silane is sourced from PubChem (CID 119025543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).