1-(trifluoromethylsulfonyl)piperazine;hydrochloride
CAS No.：
Cat. No.: SC24535
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Product Name :1-(trifluoromethylsulfonyl)piperazine;hydrochloride
Cat. No.: :SC24535
Purity / Specification :—
CAS No. :215453-48-8
MDL No. :-
Molecular Formula :C5H10ClF3N2O2S
LogP :0.16
Molecular Weight :254.65
TPSA :57.8
Category :Building Blocks
HSN Code :—
SMILES Code :Cl.O=S(=O)(N1CCNCC1)C(F)(F)F
Melting Point :—
InChI Key : :BIJYIDREOWGURF-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✓ 254.7 Da
LogP ≤ 5✓ 0.16
HBD ≤ 5✓ 2
HBA ≤ 10✓ 7
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i0.16log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 57.8Ų · 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.