User Information

• Synonyms (2)
• Vendors (7)
• Annotations (2)
• Representations (2)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (0)
• Analogs (3)

ZINC22073570

• 22073570

Physical Representations

Activity (Go SEA)

• 33882296
  

  Analogs

  22585986

  

  22073570

  

  Popular Name: 1-(2-(Dibenzylamino)ethyl)piperidine dihydrochloride; LS-114944; N-beta-(Dibenzilamino)etilpiperidina dicloridrato [Italian]; N-beta-(Dibenzylamino)-ethylpiperidine dihydrochloride; Piperidine, 1-(2-(dibenzylamino)ethyl)-, dihydrochloride 1-(2-(Dibenzylamino)ethyl)piperi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Leadscope via PubChem

    • LS-114944

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.08	11.71	-36.13	1	2	1	8	309.477	7	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	4.08	9.29	-2.51	0	2	0	6	308.469	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC33882296
• 34929055
  

  Analogs

  22936506

  

  Popular Name: N-[(4-tert-butylphenyl)methyl]-2-(1-piperidyl)ethanamine N-[(4-tert-butylphenyl)methyl]-2…

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  Vendors

  • eMolecules

    • 44661380

  • PubChem

    • 42695339

  • Ambinter

    • Amb10086514

  • Enamine BB Make on Demand

    • BBV-32834772

  • UORSY BB Make-on-demand

    • BBV-32834772

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	4.14	10.74	-117.5	3	2	2	21	276.468	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	4.14	9.38	-32.67	2	2	1	16	275.46	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC34929055
• 37049295
  

  Analogs

  19852851

  

  Popular Name: 5-(4-benzylpiperazin-1-yl)pentan-1-amine 5-(4-benzylpiperazin-1-yl)pentan…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43253065

  • Enamine BB Make on Demand

    • BBV-14856063

  Draw Identity 99% 90% 80% 70%

  Physical Representations

  Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
  Ref Reference (pH 7)	1.48	6.19	-92.66	4	3	2	35	263.429	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.48	6.18	-86.21	4	3	2	35	263.429	7	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.48	3.92	-42.61	3	3	1	34	262.421	7	↓ MOL2 SDF SMILES Flexibase

  More about ZINC37049295