[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate

C13H28N2O4Si — CID 58812433

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C13H28N2O4Si/c1-13(2,3)20(4,5)18-11-10-14-8-6-12(7-9-14)19-15(16)17/h12H,6-11H2,1-5H3
InChIKeyARYKXWVJUNZMRV-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.68
Rot. Bonds6

About [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate (PubChem CID 58812433) has the molecular formula C13H28N2O4Si and a molecular weight of 304.46 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate
PubChem CID58812433
Molecular FormulaC13H28N2O4Si
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C13H28N2O4Si/c1-13(2,3)20(4,5)18-11-10-14-8-6-12(7-9-14)19-15(16)17/h12H,6-11H2,1-5H3
InChIKeyARYKXWVJUNZMRV-UHFFFAOYSA-N
XLogP2.68
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate (CID 58812433) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate is CC(C)(C)[Si](C)(C)OCCN1CCC(O[N+](=O)[O-])CC1.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate?
The InChIKey is ARYKXWVJUNZMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4Si/c1-13(2,3)20(4,5)18-11-10-14-8-6-12(7-9-14)19-15(16)17/h12H,6-11H2,1-5H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate has a molecular weight of 304.46 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-4-yl] nitrate is sourced from PubChem (CID 58812433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).