7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline

C20H20FN3O — CID 174653845

IUPAC7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
SMILESCOc1c(F)cccc1-c1ccc2ncc(N3CCCCC3)nc2c1
InChIInChI=1S/C20H20FN3O/c1-25-20-15(6-5-7-16(20)21)14-8-9-17-18(12-14)23-19(13-22-17)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyITZGJAWOPZFEOA-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.43
Rot. Bonds3

About 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline

7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline (PubChem CID 174653845) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline.

Molecular Properties

Compound Name7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
PubChem CID174653845
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
SMILESCOc1c(F)cccc1-c1ccc2ncc(N3CCCCC3)nc2c1
InChIInChI=1S/C20H20FN3O/c1-25-20-15(6-5-7-16(20)21)14-8-9-17-18(12-14)23-19(13-22-17)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyITZGJAWOPZFEOA-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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Related Compounds

7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552
7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline
CID 67035498
3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 67035904
7-(3-chlorophenyl)-2-piperidin-1-ylquinoxaline
CID 67035242
2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol
CID 137154860
3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 123608556
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
CID 67035276
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
The IUPAC name of 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline (CID 174653845) is 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline.
What is the SMILES notation for 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
The canonical SMILES for 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline is COc1c(F)cccc1-c1ccc2ncc(N3CCCCC3)nc2c1.
What is the InChIKey of 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
The InChIKey is ITZGJAWOPZFEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-25-20-15(6-5-7-16(20)21)14-8-9-17-18(12-14)23-19(13-22-17)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3.
What are the key properties of 7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline?
7-(3-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-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline is sourced from PubChem (CID 174653845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).