trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane

C17H27N3Si — CID 58563254

IUPACtrimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane
SMILESCC(C)N1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1
InChIInChI=1S/C17H27N3Si/c1-15(2)19-7-9-20(10-8-19)17-12-16(13-18-14-17)6-11-21(3,4)5/h12-15H,7-10H2,1-5H3
InChIKeyGRQRCDUZRPTIGH-UHFFFAOYSA-N
MW301.51 g/mol
LogP2.84
Rot. Bonds2

About trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane

trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane (PubChem CID 58563254) has the molecular formula C17H27N3Si and a molecular weight of 301.51 g/mol. Its IUPAC name is trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane
PubChem CID58563254
Molecular FormulaC17H27N3Si
Molecular Weight301.51 g/mol
Exact Mass301.20
IUPAC Nametrimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane
SMILESCC(C)N1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1
InChIInChI=1S/C17H27N3Si/c1-15(2)19-7-9-20(10-8-19)17-12-16(13-18-14-17)6-11-21(3,4)5/h12-15H,7-10H2,1-5H3
InChIKeyGRQRCDUZRPTIGH-UHFFFAOYSA-N
XLogP2.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 52.84
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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Related Compounds

trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane
CID 174070318
1-[5-(2-trimethylsilylethynyl)-3-pyridinyl]ethanone
CID 172994129
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904
2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 61362795
trimethyl-[2-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]ethynyl]silane
CID 19694299
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
3-methyl-5-pyrrolidin-1-ylpyridine
CID 89217825
2-(4-propan-2-ylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 70870276
1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
CID 170687978
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563498
5-chloro-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 176692044

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane (CID 58563254) is trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane is CC(C)N1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1.
What is the InChIKey of trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane?
The InChIKey is GRQRCDUZRPTIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3Si/c1-15(2)19-7-9-20(10-8-19)17-12-16(13-18-14-17)6-11-21(3,4)5/h12-15H,7-10H2,1-5H3.
What are the key properties of trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane?
trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane has a molecular weight of 301.51 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]ethynyl]silane is sourced from PubChem (CID 58563254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).