Tert-butyl 4-benzylpiperazine-1-carboxylate
CAS No.：
Cat. No.: SC20097
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Product Name :Tert-butyl 4-benzylpiperazine-1-carboxylate
Cat. No.: :SC20097
Purity / Specification :—
CAS No. :57260-70-5
MDL No. :MFCD00075603
Molecular Formula :C16H24N2O2
LogP :2.40
Molecular Weight :276.38
TPSA :32.8
Category :API Intermediates
HSN Code :—
SMILES Code :CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1
Melting Point :—
InChI Key : :GVHSMUYEAWMYLM-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✓ 276.4 Da
LogP ≤ 5✓ 2.40
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i88/100
Excellent drug-like profile
Predicted LogP
i2.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 32.8Ų · 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.