User Information

• Synonyms (0)
• Vendors (2)
• Annotations (1)
• Representations (3)
• Notes (0)
• Targets (0)
• Clustered (0)
• Reactome (0)
• Rings (1)
• Analogs (9)

ZINC37083069

• 37083069

Physical Representations

Activity (Go SEA)

• 39134159
  

  Analogs

  39134161

  

  39134162

  

  39134163

  

  36786927

  

  36786931

  

  Popular Name: 2-(2-ethylpiperidin-1-yl)ethanamine 2-(2-ethylpiperidin-1-yl)ethanamine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 1445603

  • Molport

    • MolPort-001-995-082

  • AK Scientific

    • 7503AD

  • Aldrich CPR

    • CDS002502|ALDRICH

  • Alinda Building Blocks

    • ALBB-005363

  And 20 More

  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)	0.92	2.25	-41.73	3	2	1	31	157.281	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.92	3.76	-111.37	4	2	2	32	158.289	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.92	3.38	-28.64	3	2	1	30	157.281	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39134159
• 39134161
  

  Analogs

  39134162

  

  39134163

  

  36788778

  

  36788781

  

  Popular Name: 2-(2-ethylpiperidin-1-yl)ethanamine 2-(2-ethylpiperidin-1-yl)ethanamine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 1445603

  • Molport

    • MolPort-001-995-082

  • AK Scientific

    • 7503AD

  • Aldrich CPR

    • CDS002502|ALDRICH

  • Alinda Building Blocks

    • ALBB-005363

  And 20 More

  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)	0.92	1.65	-41.7	3	2	1	31	157.281	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.92	3.79	-111.34	4	2	2	32	158.289	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	0.92	3.41	-28.61	3	2	1	30	157.281	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC39134161
• 21815792
  

  Analogs

  21815794

  

  36785029

  

  36785030

  

  36785217

  

  36785219

  

  Popular Name: [1-[(2R)-2-methyl-1-piperidyl]cyclododecyl]methanamine [1-[(2R)-2-methyl-1-piperidyl]cy…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 43082103
    • 29793474

  • Enamine BB Make on Demand

    • BBR-060489

  • UORSY BB Make-on-demand

    • BBR-060489

  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)	5.39	9.56	-123.93	4	2	2	32	296.543	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	5.39	7.69	-43.81	3	2	1	31	295.535	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC21815792
• 19365717
  

  Analogs

  21790119

  

  21790457

  

  21791688

  

  21793280

  

  21817103

  

  Popular Name: (1-(Piperidin-1-yl)cyclohexyl)methanamine (1-(Piperidin-1-yl)cyclohexyl)me…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STK501268

  • eMolecules

    • 46474350
    • 1532064

  • Molport

    • MolPort-000-002-802

  • AK Scientific

    • W6198

  And 55 More

  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)	2.03	5.37	-119.56	4	2	2	32	198.354	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.03	3.49	-42.8	3	2	1	31	197.346	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19365717
• 32497033
  

  Analogs

  36664795

  

  36664866

  

  36664867

  

  36664931

  

  36788766

  

  Popular Name: (4-Methyl-1-piperidin-1-ylcyclohexyl)methylamine (4-Methyl-1-piperidin-1-ylcycloh…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Molport

    • MolPort-002-682-734

  • AK Scientific

    • 3459AF

  • Alinda Building Blocks

    • ALBB-027152

  • Asinex

    • ASN16454924

  • Asinex Building Blocks

    • BAS16454924

  And 13 More

  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)	1.80	6.13	-112.59	4	2	2	32	212.381	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.80	4.79	-44.97	3	2	1	31	211.373	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32497033
• 19487963
  

  Analogs

  21790457

  

  36785011

  

  36785012

  

  36785208

  

  36785209

  

  Popular Name: [1-(1-piperidyl)cycloheptyl]methanamine [1-(1-piperidyl)cycloheptyl]meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Scientific Exchange Building Blocks

    • F-415566

  • PubChem

    • 24703148
    • 28201197

  • Enamine BB Make on Demand

    • BBV-078411

  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)	2.54	5.92	-120.44	4	2	2	32	212.381	2	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.54	4	-41.37	3	2	1	31	211.373	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19487963
• 19807842
  

  Analogs

  21790119

  

  21790457

  

  21791688

  

  21793280

  

  21817103

  

  Popular Name: (4-Ethyl-1-piperidin-1-ylcyclohexyl)methylamine (4-Ethyl-1-piperidin-1-ylcyclohe…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Alinda Building Blocks

    • ALBB-004298

  • ChemDiv BuildingBlocks

    • BB12-3586

  • Fluorochem

    • 366109

  • Matrix Scientific

    • 036309

  • Molport BB

    • MolPort-004-357-399

  And 7 More

  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)	2.49	6.87	-112.89	4	2	2	32	226.408	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.49	5.46	-46.89	3	2	1	31	225.4	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC19807842
• 32445467
  

  Analogs

  36787021

  

  36787022

  

  36788859

  

  36790384

  

  36790385

  

  Popular Name: N-methyl-1-(1-piperidin-1-ylcyclohexyl)methanamine N-methyl-1-(1-piperidin-1-ylcycl…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • AK Scientific

    • 2986AE

  • Aldrich CPR

    • PH010600|ALDRICH

  • Alinda Building Blocks

    • ALBB-004297

  • Ark Pharm Building Blocks

    • AK-99099

  • Chembo Pharma

    • KB-302218

  And 11 More

  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)	3.01	7.21	-108.08	3	2	2	21	212.381	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	3.01	5.44	-35.35	2	2	1	20	211.373	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC32445467
• 22220157
  

  Analogs

  36664795

  

  36783424

  

  36783437

  

  36783438

  

  36783439

  

  Popular Name: (2R)-2-cyclohexyl-2-[(2S)-2-methyl-1-piperidyl]ethanamine (2R)-2-cyclohexyl-2-[(2S)-2-meth…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 30119959
    • 16791391

  • AKOS (make-on-demand)

    • AKOS000145301

  • Enamine BB Make on Demand

    • BBV-031815

  • UORSY BB Make-on-demand

    • BBV-031815

  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)	2.66	7.02	-116.2	4	2	2	32	226.408	3	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	2.66	5.26	-43.45	3	2	1	31	225.4	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC22220157