cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane

C28H40N2Si — CID 3288270

IUPACcyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane
SMILESC(#C[Si](C#CCN1CCCCC1)(c1ccccc1)C1CCCCC1)CN1CCCCC1
InChIInChI=1S/C28H40N2Si/c1-5-15-27(16-6-1)31(28-17-7-2-8-18-28,25-13-23-29-19-9-3-10-20-29)26-14-24-30-21-11-4-12-22-30/h1,5-6,15-16,28H,2-4,7-12,17-24H2
InChIKeyBQYLCYJXPUSAOG-UHFFFAOYSA-N
MW432.73 g/mol
LogP4.73
Rot. Bonds4

About cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane

cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane (PubChem CID 3288270) has the molecular formula C28H40N2Si and a molecular weight of 432.73 g/mol. Its IUPAC name is cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane.

Molecular Properties

Compound Namecyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane
PubChem CID3288270
Molecular FormulaC28H40N2Si
Molecular Weight432.73 g/mol
Exact Mass432.30
IUPAC Namecyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane
SMILESC(#C[Si](C#CCN1CCCCC1)(c1ccccc1)C1CCCCC1)CN1CCCCC1
InChIInChI=1S/C28H40N2Si/c1-5-15-27(16-6-1)31(28-17-7-2-8-18-28,25-13-23-29-19-9-3-10-20-29)26-14-24-30-21-11-4-12-22-30/h1,5-6,15-16,28H,2-4,7-12,17-24H2
InChIKeyBQYLCYJXPUSAOG-UHFFFAOYSA-N
XLogP4.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.73
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane?
The IUPAC name of cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane (CID 3288270) is cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane.
What is the SMILES notation for cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane?
The canonical SMILES for cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane is C(#C[Si](C#CCN1CCCCC1)(c1ccccc1)C1CCCCC1)CN1CCCCC1.
What is the InChIKey of cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane?
The InChIKey is BQYLCYJXPUSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2Si/c1-5-15-27(16-6-1)31(28-17-7-2-8-18-28,25-13-23-29-19-9-3-10-20-29)26-14-24-30-21-11-4-12-22-30/h1,5-6,15-16,28H,2-4,7-12,17-24H2.
What are the key properties of cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane?
cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane has a molecular weight of 432.73 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-phenyl-bis(3-piperidin-1-ylprop-1-ynyl)silane is sourced from PubChem (CID 3288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).