A1AYA

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

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

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1 entries where A1AYA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of A1AYA

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Chemical Component Summary
Name	[2-(4-methylpiperazin-1-yl)phenyl]methanol
Systematic Name (OpenEye OEToolkits)	[2-(4-methylpiperazin-1-yl)phenyl]methanol
Formula	C₁₂ H₁₈ N₂ O
Molecular Weight	206.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN1CCN(CC1)c1ccccc1CO
SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccccc2CO
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2ccccc2CO
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2ccccc2CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)c2ccccc2CO
InChI	InChI	1.06	InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3
InChIKey	InChI	1.06	TWPYBKBPHCMUIS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2795567

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