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

C20H20FN3O — CID 174665552

IUPAC7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
SMILESCOc1cc(F)ccc1-c1ccc2ncc(N3CCCCC3)nc2c1
InChIInChI=1S/C20H20FN3O/c1-25-19-12-15(21)6-7-16(19)14-5-8-17-18(11-14)23-20(13-22-17)24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyNBHRXGJDYWOGFC-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.43
Rot. Bonds3

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

7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline (PubChem CID 174665552) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
PubChem CID174665552
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
SMILESCOc1cc(F)ccc1-c1ccc2ncc(N3CCCCC3)nc2c1
InChIInChI=1S/C20H20FN3O/c1-25-19-12-15(21)6-7-16(19)14-5-8-17-18(11-14)23-20(13-22-17)24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10H2,1H3
InChIKeyNBHRXGJDYWOGFC-UHFFFAOYSA-N
XLogP4.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline (CID 174665552) is 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline is COc1cc(F)ccc1-c1ccc2ncc(N3CCCCC3)nc2c1.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
The InChIKey is NBHRXGJDYWOGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-25-19-12-15(21)6-7-16(19)14-5-8-17-18(11-14)23-20(13-22-17)24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10H2,1H3.
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline has a molecular weight of 337.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline is sourced from PubChem (CID 174665552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).