1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea | CAS No. 706779-91-1

1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea

Basic Information

CAS Number

706779-91-1

Molecular Formula

C25H34FN3O2

Molecular Weight

427.56 g/mol

AD

Basic Physical Properties

Boiling Point

604.222°C at 760 mmHg

CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CCN(CC3)C

InChI

InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)

InChIKey

RKEWSXXUOLRFBX-UHFFFAOYSA-N

LogP

4.6665000000000045

Topological Polar Surface Area

44.81 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

523

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • GTPL8423
  • CHEMBL2111101
  • A836958
  • 706779-91-1 (free base)
  • SCHEMBL675165
  • 706782-28-7
  • Pimavanserin free base
  • AKOS015902593
  • N05AX17
  • Nuplazid (proposed trade name)
  • pimavanserinum
  • N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl)carbamide
  • methyltrimethylacetate
  • HY-14557
  • RKEWSXXUOLRFBX-UHFFFAOYSA-N
  • UNII-JZ963P0DIK
  • N-((4-fluorophenyl)methyl)-N-(1-methylpiperidin-4-yl)-N'-((4-(2-methylpropoxy)phenyl)methyl)urea
  • EX-A4895
  • NS00071545
  • DB05316
  • JZ963P0DIK
  • N-[(4-Fluorophenyl)methyl]-N-(1-methyl-4-piperidinyl)-N'-[[4-(2-methylpropoxy)phenyl]methyl]-urea; N-(4-Fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N'-[[4-(2-methylpropyloxy)phenyl]methyl]carbamide; Pimavanserin
  • N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide
  • PIMAVANSERIN [WHO-DD]
  • NCGC00390656-02
  • 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methylpiperidin-4-yl)urea
  • ME-0240
  • CS-3378
  • BCP11618
  • FT-0653701
  • SB16963

MDL Number

MFCD09953792

FAQ

What is 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea (CAS: 706779-91-1)?

1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea is a chemical compound with the CAS number 706779-91-1. It is a urea derivative containing substituents of 4-fluorobenzyl, 4-isobutoxybenzyl, and 1-methyl-4-piperidinyl groups. This compound is known for its complex molecular structure and is often used in research for its potential biological activity. It is typically a solid at room temperature with moderate solubility in organic solvents.

What are the main uses of 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea (CAS: 706779-91-1)?

The primary use of 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea (CAS: 706779-91-1) is in pharmaceutical research, where it may serve as a lead compound for drug development. It is also used in organic synthesis as an intermediate. Due to its chemical structure, it may find applications in the development of bioactive molecules, particularly in targeting specific receptors or enzymes. Its use in industrial or food sectors is limited due to its specialized nature.

Is 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea (CAS: 706779-91-1) safe?

The safety of 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea (CAS: 706779-91-1) depends on the exposure conditions. As a research chemical, it is generally considered safe when handled properly in controlled environments. However, standard safety protocols should be followed, including the use of personal protective equipment (PPE) and proper ventilation. Long-term toxicity data may be limited, so it is advisable to consult safety guidelines and regulatory databases for comprehensive information.

How should 1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea (CAS: 706779-91-1) be stored?

1-(4-Fluorobenzyl)-3-(4-isobutoxybenzyl)-1-(1-methyl-4-piperidinyl)urea (CAS: 706779-91-1) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container, away from moisture and air exposure. Storage at temperatures below 25°C is recommended to prevent degradation. Avoid storing near incompatible materials and ensure proper labeling for safe handling and use.

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