1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate

C8H12F6NPSe2 — CID 13128732

IUPAC1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.c1c[se]c(=[N+]2CCCCC2)[se]1
InChIInChI=1S/C8H12NSe2.F6P/c1-2-4-9(5-3-1)8-10-6-7-11-8;1-7(2,3,4,5)6/h6-7H,1-5H2;/q+1;-1
InChIKeyPROSWERMSDUPHU-UHFFFAOYSA-N
MW425.07 g/mol
LogP3.14
Rot. Bonds

About 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate

1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate (PubChem CID 13128732) has the molecular formula C8H12F6NPSe2 and a molecular weight of 425.07 g/mol. Its IUPAC name is 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate
PubChem CID13128732
Molecular FormulaC8H12F6NPSe2
Molecular Weight425.07 g/mol
Exact Mass426.89
IUPAC Name1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.c1c[se]c(=[N+]2CCCCC2)[se]1
InChIInChI=1S/C8H12NSe2.F6P/c1-2-4-9(5-3-1)8-10-6-7-11-8;1-7(2,3,4,5)6/h6-7H,1-5H2;/q+1;-1
InChIKeyPROSWERMSDUPHU-UHFFFAOYSA-N
XLogP3.14
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.07
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methyl-1,3-diselenol-2-ylidene)piperidin-1-ium
CID 134908844
piperidin-1-ium-1-ylidenemethanamine hexafluorophosphate
CID 21223926
1-(3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]diselenol-2-ylidene)piperidin-1-ium
CID 102375377
2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate
CID 14744467
2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepine-1,5-diium
CID 162466510
2,6-di(piperidin-1-ium-1-ylidene)-[1,3]dithiolo[4,5-f][1,3]benzodithiole-4,8-diol
CID 90716245
5,18-diazoniatricyclo[16.2.2.22,5]tetracosa-1(21),2(24),3,5(23),18(22),19-hexaene
CID 66799483
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
CID 65002199
1-methylpiperidin-1-ium hexafluorophosphate
CID 140547735
1,1-bis(fluoromethyl)cyclohexane
CID 58341484
1,2,3-trifluoro-5-[1-[4-(1-pentylcyclohexyl)butyl]cyclohexyl]benzene
CID 57011254
2-amino-2-methyl-1-(4-piperidin-1-ium-1-ylidenecyclohexa-2,5-dien-1-ylidene)propan-1-ol
CID 59904042

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate?
The IUPAC name of 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate (CID 13128732) is 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate.
What is the SMILES notation for 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate?
The canonical SMILES for 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate is F[P-](F)(F)(F)(F)F.c1c[se]c(=[N+]2CCCCC2)[se]1.
What is the InChIKey of 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate?
The InChIKey is PROSWERMSDUPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NSe2.F6P/c1-2-4-9(5-3-1)8-10-6-7-11-8;1-7(2,3,4,5)6/h6-7H,1-5H2;/q+1;-1.
What are the key properties of 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate?
1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate has a molecular weight of 425.07 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diselenol-2-ylidene)piperidin-1-ium hexafluorophosphate is sourced from PubChem (CID 13128732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).