A1EFB

3-(4-methylpiperazin-1-yl)aniline

Created:	2024-11-08
Last modified:	2025-08-27

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1 entries where A1EFB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of A1EFB

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Chemical Component Summary
Name	3-(4-methylpiperazin-1-yl)aniline
Synonyms	148546-99-0
Systematic Name (OpenEye OEToolkits)	3-(4-methylpiperazin-1-yl)aniline
Formula	C₁₁ H₁₇ N₃
Molecular Weight	191.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCN(CC1)c2cccc(N)c2
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2cccc(c2)N
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2cccc(N)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2cccc(c2)N
InChI	InChI	1.06	InChI=1S/C11H17N3/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
InChIKey	InChI	1.06	RJGHJWKQCJAJEP-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.