USG

4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one

Created:	2020-05-29
Last modified:	2021-06-02

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1 entries where USG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of USG

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Chemical Component Summary
Name	4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
Systematic Name (OpenEye OEToolkits)	1-(4-fluorophenyl)-4-[4-[(4-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-yl]butan-1-one
Formula	C₂₂ H₂₅ F₂ N O₂
Molecular Weight	373.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2CN(CCCC(c1ccc(cc1)F)=O)CCC2(Cc3ccc(cc3)F)O
SMILES	CACTVS	3.385	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)Cc3ccc(F)cc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F
Canonical SMILES	CACTVS	3.385	OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)Cc3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CC2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)F
InChI	InChI	1.03	InChI=1S/C22H25F2NO2/c23-19-7-3-17(4-8-19)16-22(27)11-14-25(15-12-22)13-1-2-21(26)18-5-9-20(24)10-6-18/h3-10,27H,1-2,11-16H2
InChIKey	InChI	1.03	IYFJRQNDVZAPSQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	150632664

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.