A1CBJ

1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine

Created:	2025-05-07
Last modified:	2025-07-09

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1 entries where A1CBJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	6

2D diagram of A1CBJ

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Chemical Component Summary
Name	1-(propan-2-yl)-4-[(pyridin-2-yl)methyl]piperazine
Systematic Name (OpenEye OEToolkits)	1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazine
Formula	C₁₃ H₂₁ N₃
Molecular Weight	219.326
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(C)N1CCN(Cc2ccccn2)CC1
SMILES	CACTVS	3.385	CC(C)N1CCN(CC1)Cc2ccccn2
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)N1CCN(CC1)Cc2ccccn2
Canonical SMILES	CACTVS	3.385	CC(C)N1CCN(CC1)Cc2ccccn2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)N1CCN(CC1)Cc2ccccn2
InChI	InChI	1.06	InChI=1S/C13H21N3/c1-12(2)16-9-7-15(8-10-16)11-13-5-3-4-6-14-13/h3-6,12H,7-11H2,1-2H3
InChIKey	InChI	1.06	LLHCLZMIMOEPFZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1531090

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.