(3R)-piperidin-3-amine;dihydrochloride

CAS No.：

Cat. No.: SC251537

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Product Name :(3R)-piperidin-3-amine;dihydrochloride

Cat. No.: :SC251537

Purity / Specification :—

CAS No. :334618-23-4

MDL No. :—

Molecular Formula :C₅H₁₄Cl₂N₂

LogP :0.54

Molecular Weight :173.08

TPSA :38.1

Category :API Impurities

HSN Code :—

SMILES Code :C1C[C@H](CNC1)N.Cl.Cl

Melting Point :—

InChI Key : :GGPNYXIOFZLNKW-ZJIMSODOSA-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✓ 173.1 Da

LogP ≤ 5✓ 0.54

HBD ≤ 5✓ 4

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

54/100

Fragment / low drug-likeness

Predicted LogP

0.54log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 38.1Å² · 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.