N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine

C19H19FN4 — CID 56913561

IUPACN-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine
SMILESFc1ccc(NC2CCCN(c3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C19H19FN4/c20-14-7-9-15(10-8-14)22-16-4-3-11-24(13-16)19-12-21-17-5-1-2-6-18(17)23-19/h1-2,5-10,12,16,22H,3-4,11,13H2
InChIKeyIFBRSNBXYUIJHE-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.85
Rot. Bonds3

About N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine

N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine (PubChem CID 56913561) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine
PubChem CID56913561
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC NameN-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine
SMILESFc1ccc(NC2CCCN(c3cnc4ccccc4n3)C2)cc1
InChIInChI=1S/C19H19FN4/c20-14-7-9-15(10-8-14)22-16-4-3-11-24(13-16)19-12-21-17-5-1-2-6-18(17)23-19/h1-2,5-10,12,16,22H,3-4,11,13H2
InChIKeyIFBRSNBXYUIJHE-UHFFFAOYSA-N
XLogP3.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine (CID 56913561) is N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine is Fc1ccc(NC2CCCN(c3cnc4ccccc4n3)C2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine?
The InChIKey is IFBRSNBXYUIJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c20-14-7-9-15(10-8-14)22-16-4-3-11-24(13-16)19-12-21-17-5-1-2-6-18(17)23-19/h1-2,5-10,12,16,22H,3-4,11,13H2.
What are the key properties of N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine?
N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine has a molecular weight of 322.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-3-amine is sourced from PubChem (CID 56913561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).