3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol

C19H18FN3O — CID 123608556

IUPAC3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol
SMILESOc1cc(F)cc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1
InChIInChI=1S/C19H18FN3O/c20-15-8-14(9-16(24)11-15)13-4-5-17-18(10-13)22-19(12-21-17)23-6-2-1-3-7-23/h4-5,8-12,24H,1-3,6-7H2
InChIKeyJUXAVIMMQDNEBX-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.13
Rot. Bonds2

About 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol

3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol (PubChem CID 123608556) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol.

Molecular Properties

Compound Name3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol
PubChem CID123608556
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol
SMILESOc1cc(F)cc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1
InChIInChI=1S/C19H18FN3O/c20-15-8-14(9-16(24)11-15)13-4-5-17-18(10-13)22-19(12-21-17)23-6-2-1-3-7-23/h4-5,8-12,24H,1-3,6-7H2
InChIKeyJUXAVIMMQDNEBX-UHFFFAOYSA-N
XLogP4.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 67035904
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol
CID 137154860
7-(3-chlorophenyl)-2-piperidin-1-ylquinoxaline
CID 67035242
7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline
CID 67035498
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
7-(3-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174653845
2,4-bis[4-[7-(4-hydroxyphenyl)quinoxalin-2-yl]piperazin-1-yl]pentan-3-one
CID 174665442
2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline
CID 70872179
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 159328346

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
The IUPAC name of 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol (CID 123608556) is 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol.
What is the SMILES notation for 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
The canonical SMILES for 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol is Oc1cc(F)cc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1.
What is the InChIKey of 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
The InChIKey is JUXAVIMMQDNEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-15-8-14(9-16(24)11-15)13-4-5-17-18(10-13)22-19(12-21-17)23-6-2-1-3-7-23/h4-5,8-12,24H,1-3,6-7H2.
What are the key properties of 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol?
3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol has a molecular weight of 323.37 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol is sourced from PubChem (CID 123608556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).