WMG

1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine

Created:	2020-10-30
Last modified:	2020-11-11

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1 entries where WMG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	6

2D diagram of WMG

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Chemical Component Summary
Name	1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine
Systematic Name (OpenEye OEToolkits)	1-[(1~{S})-1-(2-fluorophenyl)ethyl]piperazine
Formula	C₁₂ H₁₇ F N₂
Molecular Weight	208.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2c(C(C)N1CCNCC1)c(ccc2)F
SMILES	CACTVS	3.385	C[CH](N1CCNCC1)c2ccccc2F
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccccc1F)N2CCNCC2
Canonical SMILES	CACTVS	3.385	C[C@H](N1CCNCC1)c2ccccc2F
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](c1ccccc1F)N2CCNCC2
InChI	InChI	1.03	InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-4-2-3-5-12(11)13/h2-5,10,14H,6-9H2,1H3/t10-/m0/s1
InChIKey	InChI	1.03	UIJNEACQJVSKLI-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	51615751

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