4-piperazin-1-ylbenzene-1,2-diol
CAS No.：
Cat. No.: SC251081
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Product Name :4-piperazin-1-ylbenzene-1,2-diol
Cat. No.: :SC251081
Purity / Specification :—
CAS No. :59817-33-3
MDL No. :NA
Molecular Formula :C10H14N2O2
LogP :0.70
Molecular Weight :194.23
TPSA :55.7
Category :CRO / Contract Research
HSN Code :—
SMILES Code :Oc1ccc(N2CCNCC2)cc1O
Melting Point :—
InChI Key : :HINNJCVZQJDZMT-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 194.2 Da
LogP ≤ 5✓ 0.70
HBD ≤ 5✓ 3
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i66/100
Moderate — typical building block
Predicted LogP
i0.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 55.7Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.