4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol

C19H18FN3O — CID 155263860

IUPAC4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H18FN3O/c20-15-7-5-14(6-8-15)19(24)9-11-23(12-10-19)18-13-21-16-3-1-2-4-17(16)22-18/h1-8,13,24H,9-12H2
InChIKeyPDEBFEYVODXIQN-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.26
Rot. Bonds2

About 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol

4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol (PubChem CID 155263860) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
PubChem CID155263860
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H18FN3O/c20-15-7-5-14(6-8-15)19(24)9-11-23(12-10-19)18-13-21-16-3-1-2-4-17(16)22-18/h1-8,13,24H,9-12H2
InChIKeyPDEBFEYVODXIQN-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol (CID 155263860) is 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol is OC1(c2ccc(F)cc2)CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol?
The InChIKey is PDEBFEYVODXIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-15-7-5-14(6-8-15)19(24)9-11-23(12-10-19)18-13-21-16-3-1-2-4-17(16)22-18/h1-8,13,24H,9-12H2.
What are the key properties of 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol?
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol has a molecular weight of 323.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol is sourced from PubChem (CID 155263860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).