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

C17H23NO3CAS 120014-30-4289.38 g/mol

Open in Covalent MOL file
OOONH
EtherKetoneSecondary amine

Properties

Molecular formula
C17H23NO3
Molar mass
289.38 g/mol
Exact mass
289.1678 Da
Melting point
84.7 °C
logP
2.45Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
120014-30-4
SMILES
COc1cc2c(cc1OC)C(=O)C(CC1CCNCC1)C2
InChIKey
PGBZORAISITZTF-UHFFFAOYSA-N
InChI
InChI=1S/C17H23NO3/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

Weigh it out

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

Names and synonyms

8 names
  • 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-
  • 2,3-Dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-1H-inden-1-one
  • 5,6-Dimethoxy-2-[(4-piperidinyl)methyl]-1-indanone
  • 5,6-Dimethoxy-2-[(4-piperidyl)methyl]indan-1-one
  • 5,6-Dimethoxy-2-(piperidin-4-ylmethyl)indane-1-one
  • 4-[(5,6-Dimethoxy-1-indanon-2-yl)methyl]piperidine
  • 5,6-Dimethoxy-2-[(piperidin-4-yl)methyl]-2,3-dihydro-1H-inden-1-one
  • Desbenzyl donepezil

Work with 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride120013-39-0Salt

Similar compounds

Donepezil120014-06-464 % similar Donepezil hydrochloride110119-84-162 % similar Donepezil hydrochloride120011-70-362 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-241 % similar 5,6-Dimethoxy-1-indanone2107-69-940 % similar (3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-037 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-936 % similar (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride106266-04-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-Atropine101-31-5 1-Boc-2-benzyl-piperidin-4-one193480-28-3 Lycoramine21133-52-8 Tetrahydropiperine23434-88-0 (±)-Atropine51-55-8

Elsewhere

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