piperidine-1-carboselenoate;piperidin-1-ium

C11H22N2OSe — CID 14383541

IUPACpiperidine-1-carboselenoate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.O=C([Se-])N1CCCCC1
InChIInChI=1S/C6H11NOSe.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2
InChIKeyCRUYVJCWQYJDJQ-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.49
Rot. Bonds

About piperidine-1-carboselenoate;piperidin-1-ium

piperidine-1-carboselenoate;piperidin-1-ium (PubChem CID 14383541) has the molecular formula C11H22N2OSe and a molecular weight of 277.27 g/mol. Its IUPAC name is piperidine-1-carboselenoate;piperidin-1-ium.

Molecular Properties

Compound Namepiperidine-1-carboselenoate;piperidin-1-ium
PubChem CID14383541
Molecular FormulaC11H22N2OSe
Molecular Weight277.27 g/mol
Exact Mass278.09
IUPAC Namepiperidine-1-carboselenoate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.O=C([Se-])N1CCCCC1
InChIInChI=1S/C6H11NOSe.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2
InChIKeyCRUYVJCWQYJDJQ-UHFFFAOYSA-N
XLogP0.49
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 piperidine-1-carboselenoate;piperidin-1-ium?
The IUPAC name of piperidine-1-carboselenoate;piperidin-1-ium (CID 14383541) is piperidine-1-carboselenoate;piperidin-1-ium.
What is the SMILES notation for piperidine-1-carboselenoate;piperidin-1-ium?
The canonical SMILES for piperidine-1-carboselenoate;piperidin-1-ium is C1CC[NH2+]CC1.O=C([Se-])N1CCCCC1.
What is the InChIKey of piperidine-1-carboselenoate;piperidin-1-ium?
The InChIKey is CRUYVJCWQYJDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOSe.C5H11N/c8-6(9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-5H2,(H,8,9);6H,1-5H2.
What are the key properties of piperidine-1-carboselenoate;piperidin-1-ium?
piperidine-1-carboselenoate;piperidin-1-ium has a molecular weight of 277.27 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboselenoate;piperidin-1-ium is sourced from PubChem (CID 14383541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).