1-(3-methoxyphenyl)piperazine;dihydrochloride
CAS No.：
Cat. No.: SC20079
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Product Name :1-(3-methoxyphenyl)piperazine;dihydrochloride
Cat. No.: :SC20079
Purity / Specification :—
CAS No. :6968-76-9
MDL No. :MFCD00035285
Molecular Formula :C11H18Cl2N2O
LogP :1.95
Molecular Weight :265.18
TPSA :24.5
Category :Building Blocks
HSN Code :—
SMILES Code :COc1cccc(N2CCNCC2)c1.Cl.Cl
Melting Point :—
InChI Key : :UKUNKQNESKRETR-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✓ 265.2 Da
LogP ≤ 5✓ 1.95
HBD ≤ 5✓ 3
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i78/100
Good drug-like profile
Predicted LogP
i1.95log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 24.5Ų · 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.