piperidine-1-carbodiselenoate;piperidin-1-ium

C11H22N2Se2 — CID 85309427

IUPACpiperidine-1-carbodiselenoate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.[Se]=C([Se-])N1CCCCC1
InChIInChI=1S/C6H11NSe2.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
InChIKeyBRKRCPJJIDGVCE-UHFFFAOYSA-N
MW340.23 g/mol
LogP-0.37
Rot. Bonds1

About piperidine-1-carbodiselenoate;piperidin-1-ium

piperidine-1-carbodiselenoate;piperidin-1-ium (PubChem CID 85309427) has the molecular formula C11H22N2Se2 and a molecular weight of 340.23 g/mol. Its IUPAC name is piperidine-1-carbodiselenoate;piperidin-1-ium.

Molecular Properties

Compound Namepiperidine-1-carbodiselenoate;piperidin-1-ium
PubChem CID85309427
Molecular FormulaC11H22N2Se2
Molecular Weight340.23 g/mol
Exact Mass342.01
IUPAC Namepiperidine-1-carbodiselenoate;piperidin-1-ium
SMILESC1CC[NH2+]CC1.[Se]=C([Se-])N1CCCCC1
InChIInChI=1S/C6H11NSe2.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
InChIKeyBRKRCPJJIDGVCE-UHFFFAOYSA-N
XLogP-0.37
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1,4'-Bipiperidine
CID 78607
1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 2761147
Di-beta-(piperidinoethyl)selenide
CID 134318
1-(2-Piperidin-1-yl-ethyl)-piperazine
CID 2737212
1-(3-Piperidinopropyl)piperazine
CID 2737253
N,N-dimethyl-1-(piperidin-4-yl)piperidin-4-amine
CID 18321170
1-(Piperidin-4-ylmethyl)piperidine
CID 12802905
1-(2-(Piperidin-4-yl)ethyl)piperidine
CID 296292
1,6-Di-(4'-piperazinyl)-hexane
CID 12252572
1,3'-Bipiperidine
CID 21278309
Piperidine-1-carboselenoate;piperidin-1-ium
CID 14383541
1-(Piperidin-1-ium-1-ylmethyl)piperidine
CID 28137098

Frequently Asked Questions

What is the IUPAC name of piperidine-1-carbodiselenoate;piperidin-1-ium?
The IUPAC name of piperidine-1-carbodiselenoate;piperidin-1-ium (CID 85309427) is piperidine-1-carbodiselenoate;piperidin-1-ium.
What is the SMILES notation for piperidine-1-carbodiselenoate;piperidin-1-ium?
The canonical SMILES for piperidine-1-carbodiselenoate;piperidin-1-ium is C1CC[NH2+]CC1.[Se]=C([Se-])N1CCCCC1.
What is the InChIKey of piperidine-1-carbodiselenoate;piperidin-1-ium?
The InChIKey is BRKRCPJJIDGVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NSe2.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-carbodiselenoate;piperidin-1-ium?
piperidine-1-carbodiselenoate;piperidin-1-ium has a molecular weight of 340.23 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carbodiselenoate;piperidin-1-ium is sourced from PubChem (CID 85309427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).