1-Benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine - CAS 120013-45-8
Catalog:
BB004698
Product Name:
1-Benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
CAS:
120013-45-8
Synonyms:
4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]-1-(phenylmethyl)piperidine; 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
Application:
An impurity of Donepezil.
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BB004698
100 mg
$969
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IUPAC Name: 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
Description: Donepezil impurity.
Molecular Weight: 363.49
Molecular Formula: C24H29NO2
Canonical SMILES: COC1=C(C=C2C=C(CC2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC
InChI: InChI=1S/C24H29NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,13,15-16,18H,8-12,14,17H2,1-2H3
InChI Key: WEXHLNQRFRJSQX-UHFFFAOYSA-N
Boiling Point: 492.438 ℃ at 760 mmHg
Melting Point: 101-110 ℃
Purity: > 95 %
Density: 1.111 g/cm3
Solubility: Sealed in dry, 2-8℃
Appearance: Off-white to pale orange solid
Storage: Sealed in dry, 2-8 ℃
LogP: 4.88350
Publication Number Title Priority Date
KR-102227100-B1 Donepezil ether palmitate or its pharmaceutically acceptable salt 20200814
CN-111265524-A Compositions containing mixtures of indene or indane derivatives and uses thereof 20200204
CN-112641773-A Composition containing heterocyclic compound and use thereof 20200108
CN-113260356-A Stable donepezil-containing percutaneous absorption agent 20181221
EP-3900711-A1 Transdermal absorption preparation containing stabilized donepezil 20181221
Complexity: 491
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 363.219829168
Formal Charge: 0
Heavy Atom Count: 27
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 363.219829168
Rotatable Bond Count: 6
Topological Polar Surface Area: 21.7
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.7
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Piperidines
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