2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone

Basic Information

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CAS Number

120014-06-4

Molecular Formula

C24H29NO3

Molecular Weight

379.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

207 ºC

Boiling Point

527.9°C at 760 mmHg

Water Solubility

2.931 mg/L

SMILES

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COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3

InChIKey

ADEBPBSSDYVVLD-UHFFFAOYSA-N

LogP

4.361100000000004

Topological Polar Surface Area

38.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

510

Safety Information

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Hazard Statement

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

Donaz
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
DTXCID0028292
Q-100098
AC-6969
HMS3886M11
Donepezil; 2,3-Dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1H-inden-1-one; 1-Benzyl-4-[(5,6-dimethoxy-1-oxoindan-2-yl)methyl]piperidine; (+/-)-E 2020
Oprea1_188452
BRD-A49160188-003-04-4
AB00640013-08
5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydroinden-1-one
CHEBI:145499
FT-0601545
(RS)-2-[(1-BENZYL-4-PIPERIDYL)METHYL]-5,6-DIMETHOXYINDAN-1-ONE
SBI-0206789.P001
donepezil
KBio2_004712
AKOS016842349
Donepezil (INN)
D797
Z1741977105
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
2-((1-benzyl-4-piperidyl)methyl)-5,6-dimethoxy-2,3-dihydroinden-1-one
donepezil hydrochlorid
5,6-DIMETHOXY-2-((1-(PHENYLMETHYL)-4-PIPERIDINYL)METHYL)-2,3-DIHYDRO-1H-INDEN-1-ONE
UNII-8SSC91326P
DONEPEZIL [HSDB]
2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1h-inden-1-one
NS00008580
AB00640013_09
BCP07590

MDL Number

MFCD00912833

FAQ

What is 2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone (CAS: 120014-06-4)?

2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone, with CAS number 120014-06-4, is a chemical compound characterized by an indanone ring substituted with a piperidine group and two methoxy groups. It is known for its complex molecular structure and is often used in organic synthesis and pharmaceutical research. The compound has a molecular formula of C21H26O4 and exhibits moderate solubility in organic solvents.

What are the main uses of 2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone (CAS: 120014-06-4)?

This compound is primarily used in pharmaceutical research as a building block for the development of drugs targeting central nervous system disorders. It also finds applications in organic synthesis for creating complex molecules, and in the chemical industry for specialized formulations. Its unique structure makes it valuable in the study of receptor interactions and drug design.

Is 2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone (CAS: 120014-06-4) safe?

2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone (CAS: 120014-06-4) is generally considered safe when handled properly in controlled laboratory environments. However, it should be treated with caution due to its potential to cause skin and eye irritation. Users should follow standard safety protocols, including wearing protective gloves and goggles, and ensure proper ventilation. It is not classified as hazardous under typical exposure conditions.

How should 2-[(1-Benzyl-4-piperidinyl)methyl]-5,6-dimethoxy-1-indanone (CAS: 120014-06-4) be stored?

This compound should be stored in a cool, dry place away from light to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and humidity levels below 60%. Storage in a well-ventilated area is recommended to prevent any potential air contamination. Avoid exposure to incompatible substances to ensure long-term preservation.