4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane

C18H35NSi — CID 178018741

IUPAC4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCC1CCNCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H35NSi/c1-15(2)20(16(3)4,17(5)6)14-8-7-9-18-10-12-19-13-11-18/h15-19H,7,9-13H2,1-6H3
InChIKeyLYLOXQDRKQCJAJ-UHFFFAOYSA-N
MW293.57 g/mol
LogP4.99
Rot. Bonds5

About 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane

4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane (PubChem CID 178018741) has the molecular formula C18H35NSi and a molecular weight of 293.57 g/mol. Its IUPAC name is 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane
PubChem CID178018741
Molecular FormulaC18H35NSi
Molecular Weight293.57 g/mol
Exact Mass293.25
IUPAC Name4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCC1CCNCC1)(C(C)C)C(C)C
InChIInChI=1S/C18H35NSi/c1-15(2)20(16(3)4,17(5)6)14-8-7-9-18-10-12-19-13-11-18/h15-19H,7,9-13H2,1-6H3
InChIKeyLYLOXQDRKQCJAJ-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane (CID 178018741) is 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCCC1CCNCC1)(C(C)C)C(C)C.
What is the InChIKey of 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is LYLOXQDRKQCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NSi/c1-15(2)20(16(3)4,17(5)6)14-8-7-9-18-10-12-19-13-11-18/h15-19H,7,9-13H2,1-6H3.
What are the key properties of 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane?
4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 293.57 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylbut-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 178018741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).