A1AXJ

[2-(4-ethylpiperazin-1-yl)phenyl]methanol

Created:	2024-07-11
Last modified:	2025-03-26

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1 entries where A1AXJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of A1AXJ

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Chemical Component Summary
Name	[2-(4-ethylpiperazin-1-yl)phenyl]methanol
Systematic Name (OpenEye OEToolkits)	[2-(4-ethylpiperazin-1-yl)phenyl]methanol
Formula	C₁₃ H₂₀ N₂ O
Molecular Weight	220.311
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCN1CCN(CC1)c1ccccc1CO
SMILES	CACTVS	3.385	CCN1CCN(CC1)c2ccccc2CO
SMILES	OpenEye OEToolkits	2.0.7	CCN1CCN(CC1)c2ccccc2CO
Canonical SMILES	CACTVS	3.385	CCN1CCN(CC1)c2ccccc2CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN1CCN(CC1)c2ccccc2CO
InChI	InChI	1.06	InChI=1S/C13H20N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h3-6,16H,2,7-11H2,1H3
InChIKey	InChI	1.06	KRYOTUHYCVJRAS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	40428576

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