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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N2O2
Molecular Weight 234.2942
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-METHYL-1-PIPERAZINYL)METHYL)BENZOIC ACID

SMILES

CN1CCN(CC2=CC=C(C=C2)C(O)=O)CC1

InChI

InChIKey=ZJUXJQSYXBYFFO-UHFFFAOYSA-N
InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-2-4-12(5-3-11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C13H18N2O2
Molecular Weight 234.2942
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 Sat Dec 16 14:31:26 GMT 2023
Edited
by admin
on Sat Dec 16 14:31:26 GMT 2023
Record UNII
M4XAX7UGT4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4-METHYL-1-PIPERAZINYL)METHYL)BENZOIC ACID
Systematic Name English
4-((4-METHYLPIPERAZINYL)METHYL)BENZOIC ACID
Common Name English
BENZOIC ACID, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
M4XAX7UGT4
Created by admin on Sat Dec 16 14:31:26 GMT 2023 , Edited by admin on Sat Dec 16 14:31:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID30406374
Created by admin on Sat Dec 16 14:31:26 GMT 2023 , Edited by admin on Sat Dec 16 14:31:26 GMT 2023
PRIMARY
PUBCHEM
4769782
Created by admin on Sat Dec 16 14:31:26 GMT 2023 , Edited by admin on Sat Dec 16 14:31:26 GMT 2023
PRIMARY
CAS
106261-48-7
Created by admin on Sat Dec 16 14:31:26 GMT 2023 , Edited by admin on Sat Dec 16 14:31:26 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT