User Information

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

ZINC31978503

• 31978503

Physical Representations

Activity (Go SEA)

• 51590129
  

  Analogs

  31978503

  

  Popular Name: 1-[(3-isopropoxyphenyl)methyl]piperidin-4-ol 1-[(3-isopropoxyphenyl)methyl]pi…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 32026784

  • Enamine

    • Z643521686

  • Mcule

    • MCULE-9593863336

  • Enamine-REAL

    • Z643521686

  • PubChem

    • 51086648

  And 2 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)	1.54	5.75	-37.79	2	3	1	34	250.362	4	↓ MOL2 SDF SMILES Flexibase

  More about ZINC51590129
• 51992238
  

  Analogs

  31978470

  

  31978503

  

  Popular Name: 3-[4-(3,4-dimethylphenoxy)-1-piperidyl]propan-1-ol 3-[4-(3,4-dimethylphenoxy)-1-pip…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • eMolecules

    • 36275333

  • Molport

    • MolPort-020-117-807

  • Enamine

    • Z644654360

  • Mcule

    • MCULE-9391803779

  • PubChem

    • 53520831

  And 2 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)	2.15	6.4	-40.44	2	3	1	34	264.389	5	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	2.15	4.17	-5.82	1	3	0	33	263.381	5	↓ MOL2 SDF SMILES Flexibase

  More about ZINC51992238
• 57835511
  

  Analogs

  59793784

  

  64548741

  

  64549538

  

  31978429

  

  20136275

  

  Popular Name: 3-(Piperidin-4-yloxy)benzamide hydrochloride 3-(Piperidin-4-yloxy)benzamide h…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Ark Pharm Building Blocks

    • AK143633

  • PubChem

    • 59862349

  • SureChEMBL

    • SCHEMBL4504508

  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)	-0.12	1.66	-51.68	4	4	1	69	221.28	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC57835511
• 31977841
  

  Analogs

  31977842

  

  31977843

  

  31977844

  

  31977872

  

  31977873

  

  Popular Name: [3-[(1S)-1-methyl-3-morpholino-propoxy]phenyl]methanamine [3-[(1S)-1-methyl-3-morpholino-p…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • PubChem

    • 39201652

  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)	1.30	2.49	-51.25	3	4	1	49	265.377	6	↓ MOL2 SDF SMILES Flexibase
  Mid Mid (pH 6-8)	1.30	4.89	-100.88	4	4	2	51	266.385	6	↓ MOL2 SDF SMILES Flexibase

  More about ZINC31977841
• 12138091
  

  Analogs

  31978470

  

  31978503

  

  31980159

  

  31980161

  

  31980172

  

  Popular Name: 4-(3-methylphenoxy)piperidine 4-(3-methylphenoxy)piperidine

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Vitas-M

    • STL067943

  • eMolecules

    • 12601734
    • 1014018

  • Molport

    • MolPort-001-791-197
    • MolPort-003-991-235

  And 36 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)	1.51	5.54	-42.91	2	2	1	26	192.282	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC12138091
• 20352317
  

  Analogs

  31977872

  

  31977873

  

  31977874

  

  31977875

  

  31978503

  

  Popular Name: {4-[(1-methylpiperidin-4-yl)oxy]phenyl}methanamine {4-[(1-methylpiperidin-4-yl)oxy]…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Enamine Building Blocks

    • EN300-206556

  • Molport BB

    • MolPort-000-899-652

  • PubChem

    • 28872726
    • 19627338

  • Enamine BB Make on Demand

    • BBV-32641967

  And 1 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)	0.87	5.15	-91.15	4	3	2	41	222.332	3	↓ MOL2 SDF SMILES Flexibase
  Hi High (pH 8-9.5)	0.87	2.74	-47.64	3	3	1	40	221.324	3	↓ MOL2 SDF SMILES Flexibase

  More about ZINC20352317
• 14631917
  

  Analogs

  31978470

  

  31978503

  

  31980159

  

  31980161

  

  31980172

  

  Popular Name: 4-(3,5-Dimethylphenoxy)piperidine hydrochloride 4-(3,5-Dimethylphenoxy)piperidin…

  Find On: PubMed — Wikipedia — Google

  Vendors

  • Aldrich CPR

    • CDS002115|ALDRICH

  • Matrix Scientific

    • 023291

  • Sigma Aldrich (Building Blocks)

    • CDS002115|ALDRICH

  • Tractus

    • TRA0050137

  • ZereneX Building Blocks

    • ZXH002396

  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)	1.91	6.21	-42.98	2	2	1	26	206.309	2	↓ MOL2 SDF SMILES Flexibase

  More about ZINC14631917