[benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate

C14H20F6N5OP — CID 11711435

IUPAC[benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate
SMILESC[N+](C)=C(On1nnc2ccccc21)N1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H20N5O.F6P/c1-17(2)14(18-10-6-3-7-11-18)20-19-13-9-5-4-8-12(13)15-16-19;1-7(2,3,4,5)6/h4-5,8-9H,3,6-7,10-11H2,1-2H3;/q+1;-1
InChIKeyDBPBQCOKNKTUSS-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.36
Rot. Bonds1

About [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate

[benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate (PubChem CID 11711435) has the molecular formula C14H20F6N5OP and a molecular weight of 419.31 g/mol. Its IUPAC name is [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate
PubChem CID11711435
Molecular FormulaC14H20F6N5OP
Molecular Weight419.31 g/mol
Exact Mass419.13
IUPAC Name[benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate
SMILESC[N+](C)=C(On1nnc2ccccc21)N1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C14H20N5O.F6P/c1-17(2)14(18-10-6-3-7-11-18)20-19-13-9-5-4-8-12(13)15-16-19;1-7(2,3,4,5)6/h4-5,8-9H,3,6-7,10-11H2,1-2H3;/q+1;-1
InChIKeyDBPBQCOKNKTUSS-UHFFFAOYSA-N
XLogP4.36
TPSA46.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

benzotriazol-1-yloxy(dipyrrolidin-1-yl)phosphane
CID 148781712
dimethyl-[(3-oxidobenzotriazol-3-ium-1-yl)-pyrrolidin-1-ylmethylidene]azanium hexafluorophosphate
CID 11304280
benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
CID 142638813
bis([benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium);sulfate
CID 162236049
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
CID 10290998
2-(benzotriazol-1-yloxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 13101377
benzotriazol-1-yloxy-tris(2-oxopyrrolidin-1-yl)phosphanium hexafluorophosphate
CID 175527001
(E)-benzotriazol-1-yloxymethyl-(ethylaminomethylidene)-methylazanium hexafluorophosphate
CID 141398610
methane;1-methoxybenzotriazole
CID 161160564
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;1-hydroxybenzotriazole;hexafluorophosphate
CID 174889398
[benzotriazol-1-ylperoxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
CID 87275340
dodecakis(benzotriazol-1-yloxy(pyrrolidin-1-yl)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 22016374

Frequently Asked Questions

What is the IUPAC name of [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate (CID 11711435) is [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate is C[N+](C)=C(On1nnc2ccccc21)N1CCCCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is DBPBQCOKNKTUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N5O.F6P/c1-17(2)14(18-10-6-3-7-11-18)20-19-13-9-5-4-8-12(13)15-16-19;1-7(2,3,4,5)6/h4-5,8-9H,3,6-7,10-11H2,1-2H3;/q+1;-1.
What are the key properties of [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate?
[benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 419.31 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzotriazol-1-yloxy(piperidin-1-yl)methylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 11711435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).