U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H23NO3.ClH
Molecular Weight 325.83
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine hydrochloride

SMILES

Cl.COC1=CC2=C(C=C1OC)C(=O)C(CC3CCNCC3)C2

InChI

InChIKey=WOZXDQQCMZIQEG-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C17H23NO3
Molecular Weight 289.3694
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:39:53 GMT 2025
Edited
by admin
on Wed Apr 02 17:39:53 GMT 2025
Record UNII
AZ9ED2QG9Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-, hydrochloride (1:1)
Preferred Name English
4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine hydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20561628
Created by admin on Wed Apr 02 17:39:53 GMT 2025 , Edited by admin on Wed Apr 02 17:39:53 GMT 2025
PRIMARY
PUBCHEM
14553606
Created by admin on Wed Apr 02 17:39:53 GMT 2025 , Edited by admin on Wed Apr 02 17:39:53 GMT 2025
PRIMARY
CAS
120013-39-0
Created by admin on Wed Apr 02 17:39:53 GMT 2025 , Edited by admin on Wed Apr 02 17:39:53 GMT 2025
PRIMARY
FDA UNII
AZ9ED2QG9Q
Created by admin on Wed Apr 02 17:39:53 GMT 2025 , Edited by admin on Wed Apr 02 17:39:53 GMT 2025
PRIMARY