7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline

C45H41F3N6O — CID 67035107

IUPAC7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline
SMILESFC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCCCC3)nc2c1.c1ccc(-c2cccc(-c3ccc4ncc(N5CCCCC5)nc4c3)c2)cc1
InChIInChI=1S/C25H23N3.C20H18F3N3O/c1-3-8-19(9-4-1)20-10-7-11-21(16-20)22-12-13-23-24(17-22)27-25(18-26-23)28-14-5-2-6-15-28;21-20(22,23)27-18-7-3-2-6-15(18)14-8-9-16-17(12-14)25-19(13-24-16)26-10-4-1-5-11-26/h1,3-4,7-13,16-18H,2,5-6,14-15H2;2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyOSSWODVWRLPUDS-UHFFFAOYSA-N
MW738.86 g/mol
LogP11.14
Rot. Bonds6

About 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline

7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline (PubChem CID 67035107) has the molecular formula C45H41F3N6O and a molecular weight of 738.86 g/mol. Its IUPAC name is 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline.

Molecular Properties

Compound Name7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline
PubChem CID67035107
Molecular FormulaC45H41F3N6O
Molecular Weight738.86 g/mol
Exact Mass738.33
IUPAC Name7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline
SMILESFC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCCCC3)nc2c1.c1ccc(-c2cccc(-c3ccc4ncc(N5CCCCC5)nc4c3)c2)cc1
InChIInChI=1S/C25H23N3.C20H18F3N3O/c1-3-8-19(9-4-1)20-10-7-11-21(16-20)22-12-13-23-24(17-22)27-25(18-26-23)28-14-5-2-6-15-28;21-20(22,23)27-18-7-3-2-6-15(18)14-8-9-16-17(12-14)25-19(13-24-16)26-10-4-1-5-11-26/h1,3-4,7-13,16-18H,2,5-6,14-15H2;2-3,6-9,12-13H,1,4-5,10-11H2
InChIKeyOSSWODVWRLPUDS-UHFFFAOYSA-N
XLogP11.14
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.86
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline?
The IUPAC name of 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline (CID 67035107) is 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline.
What is the SMILES notation for 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline?
The canonical SMILES for 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline is FC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCCCC3)nc2c1.c1ccc(-c2cccc(-c3ccc4ncc(N5CCCCC5)nc4c3)c2)cc1.
What is the InChIKey of 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline?
The InChIKey is OSSWODVWRLPUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3.C20H18F3N3O/c1-3-8-19(9-4-1)20-10-7-11-21(16-20)22-12-13-23-24(17-22)27-25(18-26-23)28-14-5-2-6-15-28;21-20(22,23)27-18-7-3-2-6-15(18)14-8-9-16-17(12-14)25-19(13-24-16)26-10-4-1-5-11-26/h1,3-4,7-13,16-18H,2,5-6,14-15H2;2-3,6-9,12-13H,1,4-5,10-11H2.
What are the key properties of 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline?
7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline has a molecular weight of 738.86 g/mol, XLogP of 11.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline is sourced from PubChem (CID 67035107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).