Q4L

methyl 4-(4-fluorophenyl)piperazine-1-carboxylate

Created:	2022-06-01
Last modified:	2023-12-20

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3 entries where Q4L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of Q4L

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Chemical Component Summary
Name	methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
Systematic Name (OpenEye OEToolkits)	methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
Formula	C₁₂ H₁₅ F N₂ O₂
Molecular Weight	238.258
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COC(=O)N1CCN(CC1)c1ccc(F)cc1
SMILES	CACTVS	3.385	COC(=O)N1CCN(CC1)c2ccc(F)cc2
SMILES	OpenEye OEToolkits	2.0.7	COC(=O)N1CCN(CC1)c2ccc(cc2)F
Canonical SMILES	CACTVS	3.385	COC(=O)N1CCN(CC1)c2ccc(F)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	COC(=O)N1CCN(CC1)c2ccc(cc2)F
InChI	InChI	1.03	InChI=1S/C12H15FN2O2/c1-17-12(16)15-8-6-14(7-9-15)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3
InChIKey	InChI	1.03	KWVIJGFYBHCKOB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	1537569

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