chempirical

(Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate

C17H24F6N5OPCAS 190849-64-0459.38 g/mol

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Properties

Molecular formula
C17H24F6N5OP
Molar mass
459.38 g/mol
Exact mass
459.1623 Da
logP
5.28Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
190849-64-0
SMILES
C1CCN(CC1)C(=[N+]2CCCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
InChIKey
YNOBMGHLCWIWCL-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N5O.F6P/c1-5-11-20(12-6-1)17(21-13-7-2-8-14-21)23-22-16-10-4-3-9-15(16)18-19-22;1-7(2,3,4,5)6/h3-4,9-10H,1-2,5-8,11-14H2;/q+1;-1

Weigh it out

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Work with (Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate105379-24-698 % similar PyBOP128625-52-556 % similar Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate56602-33-649 % similar Bis(hydroxybenzotriazolyl) carbonate88544-01-843 % similar Hdbtu164861-52-342 % similar N,N,N',N'-Bis(tetramethylene)-O-(N-succinimidyl)uronium Hexafluorophosphate207683-26-940 % similar ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate156311-83-040 % similar (6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate893413-42-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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