[5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane

C19H33NSSi — CID 86084078

IUPAC[5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane
SMILESCC(C)(C)c1ccc(CN2CCCCC2)c(S[Si](C)(C)C)c1
InChIInChI=1S/C19H33NSSi/c1-19(2,3)17-11-10-16(15-20-12-8-7-9-13-20)18(14-17)21-22(4,5)6/h10-11,14H,7-9,12-13,15H2,1-6H3
InChIKeyYKRNABBQQBWCCC-UHFFFAOYSA-N
MW335.63 g/mol
LogP5.90
Rot. Bonds4

About [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane

[5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane (PubChem CID 86084078) has the molecular formula C19H33NSSi and a molecular weight of 335.63 g/mol. Its IUPAC name is [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane.

Molecular Properties

Compound Name[5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane
PubChem CID86084078
Molecular FormulaC19H33NSSi
Molecular Weight335.63 g/mol
Exact Mass335.21
IUPAC Name[5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane
SMILESCC(C)(C)c1ccc(CN2CCCCC2)c(S[Si](C)(C)C)c1
InChIInChI=1S/C19H33NSSi/c1-19(2,3)17-11-10-16(15-20-12-8-7-9-13-20)18(14-17)21-22(4,5)6/h10-11,14H,7-9,12-13,15H2,1-6H3
InChIKeyYKRNABBQQBWCCC-UHFFFAOYSA-N
XLogP5.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.63
LogP ≤ 55.90
H-Bond Donors ≤ 50
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 [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane?
The IUPAC name of [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane (CID 86084078) is [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane.
What is the SMILES notation for [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane?
The canonical SMILES for [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane is CC(C)(C)c1ccc(CN2CCCCC2)c(S[Si](C)(C)C)c1.
What is the InChIKey of [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane?
The InChIKey is YKRNABBQQBWCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NSSi/c1-19(2,3)17-11-10-16(15-20-12-8-7-9-13-20)18(14-17)21-22(4,5)6/h10-11,14H,7-9,12-13,15H2,1-6H3.
What are the key properties of [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane?
[5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane has a molecular weight of 335.63 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-(piperidin-1-ylmethyl)phenyl]sulfanyl-trimethylsilane is sourced from PubChem (CID 86084078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).