5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride

C₁₇H₂₄ClNO₃CAS 120013-39-0325.83 g/mol

Open in Covalent MOL file

Ether Ketone Secondary amine

Properties

Molecular formula: C₁₇H₂₄ClNO₃
Molar mass: 325.83 g/mol
Exact mass: 325.1445 Da
logP: 2.87Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

120013-39-0

SMILES

COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC.Cl

InChIKey

WOZXDQQCMZIQEG-UHFFFAOYSA-N

InChI

InChI=1S/C17H23NO3.ClH/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2;/h9-11,13,18H,3-8H2,1-2H3;1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-((5,6-Dimethoxy-1-oxoindan-2-yl)methyl)piperidine hydrochloride

Work with 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine120014-30-495 % similar Donepezil hydrochloride110119-84-165 % similar Donepezil hydrochloride120011-70-365 % similar Donepezil120014-06-462 % similar (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-039 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-239 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-339 % similar 5,6-Dimethoxy-1-indanone2107-69-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Hyoscyamine hydrochloride5934-50-9

Elsewhere

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