ZW5

1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

Created:	2023-07-05
Last modified:	2023-07-26

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1 entries where ZW5 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 ZW5

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Chemical Component Summary
Name	1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
Systematic Name (OpenEye OEToolkits)	1-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine
Formula	C₁₂ H₁₇ F N₂ O
Molecular Weight	224.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc(cc1F)CN1CCNCC1
SMILES	CACTVS	3.385	COc1ccc(CN2CCNCC2)cc1F
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1F)CN2CCNCC2
Canonical SMILES	CACTVS	3.385	COc1ccc(CN2CCNCC2)cc1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1F)CN2CCNCC2
InChI	InChI	1.06	InChI=1S/C12H17FN2O/c1-16-12-3-2-10(8-11(12)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKey	InChI	1.06	DOHKJEHZIZZYLD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2560586

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