1-(1-methylpiperidin-4-yl)piperazine

CAS No.：

Cat. No.: SC24519

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Product Name :1-(1-methylpiperidin-4-yl)piperazine

Cat. No.: :SC24519

Purity / Specification :—

CAS No. :23995-88-2

MDL No. :MFCD01075186

Molecular Formula :C₁₀H₂₁N₃

LogP :0.20

Molecular Weight :183.30

TPSA :18.5

Category :Building Blocks

HSN Code :—

SMILES Code :CN1CCC(N2CCNCC2)CC1

Melting Point :—

InChI Key : :OHUMKYGINIODOY-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 183.3 Da

LogP ≤ 5✓ 0.20

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

55/100

Moderate — typical building block

Predicted LogP

0.20log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 18.5Å² · 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.