4-[2-(trifluoromethyl)phenyl]piperidine;hydrochloride
CAS No.：
Cat. No.: SC251198
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Product Name :4-[2-(trifluoromethyl)phenyl]piperidine;hydrochloride
Cat. No.: :SC251198
Purity / Specification :—
CAS No. :255051-14-0
MDL No. :MFCD02178914
Molecular Formula :C12H15ClF3N
LogP :3.59
Molecular Weight :265.70
TPSA :12.0
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1CNCCC1C2=CC=CC=C2C(F)(F)F.Cl
Melting Point :—
InChI Key : :BZYIRYKJNSACFP-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✓ 265.7 Da
LogP ≤ 5✓ 3.59
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i69/100
Moderate — typical building block
Predicted LogP
i3.59log units
Lipophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 12.0Ų · 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.