SMILES:

Cl.NC1=C2C(=NC=N1)[N](N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)C5CCNCC5
N-piperidine Ibrutinib hydrochloride Chemical Structure
Chemical Structure
Check the N-piperidine Ibrutinib hydrochloride product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name 3-(4-phenoxyphenyl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CAS Number 2231747-18-3
Molecular Formula

C22H22N6O.ClH

Molecular Weight (MW) 422.91
SMILES Cl.NC1=C2C(=NC=N1)[N](N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)C5CCNCC5
InChIKey ORBFZIXZKIUECG-UHFFFAOYSA-N

How to Prepare Stock Solution?

Concentration Volume Mass
🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
Water 85 mg/mL
DMSO 11 mg/mL (26.01 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol Insoluble
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

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Note: Technical data last updated: Sep 1, 2026.