5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine
CAS No.：
Cat. No.: SC251563
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Product Name :5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-amine
Cat. No.: :SC251563
Purity / Specification :—
CAS No. :1180132-17-5
MDL No. :—
Molecular Formula :C12H20N4
LogP :0.50
Molecular Weight :220.32
TPSA :45.4
Category :API Impurities
HSN Code :—
SMILES Code :CCN1CCN(CC1)CC2=CN=C(C=C2)N
Melting Point :—
InChI Key : :MNJBMPQTXVZMFZ-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✓ 220.3 Da
LogP ≤ 5✓ 0.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i0.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 45.4Ų · 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.