2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline

C21H23N3O — CID 50764097

IUPAC2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline
SMILESCc1ccc(Oc2nc3ccccc3nc2N2CCCCC2)cc1C
InChIInChI=1S/C21H23N3O/c1-15-10-11-17(14-16(15)2)25-21-20(24-12-6-3-7-13-24)22-18-8-4-5-9-19(18)23-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyYATYYRSKSJDQDM-UHFFFAOYSA-N
MW333.44 g/mol
LogP5.03
Rot. Bonds3

About 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline

2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline (PubChem CID 50764097) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline
PubChem CID50764097
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline
SMILESCc1ccc(Oc2nc3ccccc3nc2N2CCCCC2)cc1C
InChIInChI=1S/C21H23N3O/c1-15-10-11-17(14-16(15)2)25-21-20(24-12-6-3-7-13-24)22-18-8-4-5-9-19(18)23-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyYATYYRSKSJDQDM-UHFFFAOYSA-N
XLogP5.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.44
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline?
The IUPAC name of 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline (CID 50764097) is 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline is Cc1ccc(Oc2nc3ccccc3nc2N2CCCCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline?
The InChIKey is YATYYRSKSJDQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-10-11-17(14-16(15)2)25-21-20(24-12-6-3-7-13-24)22-18-8-4-5-9-19(18)23-21/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline?
2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline has a molecular weight of 333.44 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-3-piperidin-1-ylquinoxaline is sourced from PubChem (CID 50764097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).