7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline

C20H20FN3 — CID 67035498

IUPAC7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline
SMILESCc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c(F)c1
InChIInChI=1S/C20H20FN3/c1-14-5-7-16(17(21)11-14)15-6-8-18-19(12-15)23-20(13-22-18)24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyKWPYBDGZYTXKSO-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.73
Rot. Bonds2

About 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline

7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline (PubChem CID 67035498) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline.

Molecular Properties

Compound Name7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline
PubChem CID67035498
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline
SMILESCc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c(F)c1
InChIInChI=1S/C20H20FN3/c1-14-5-7-16(17(21)11-14)15-6-8-18-19(12-15)23-20(13-22-18)24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyKWPYBDGZYTXKSO-UHFFFAOYSA-N
XLogP4.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline?
The IUPAC name of 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline (CID 67035498) is 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline.
What is the SMILES notation for 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline?
The canonical SMILES for 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline is Cc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline?
The InChIKey is KWPYBDGZYTXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-14-5-7-16(17(21)11-14)15-6-8-18-19(12-15)23-20(13-22-18)24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline?
7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline has a molecular weight of 321.40 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline is sourced from PubChem (CID 67035498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).