2-(4-propan-2-ylpiperidin-1-yl)quinoxaline

C16H21N3 — CID 59598901

IUPAC2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
SMILESCC(C)C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3/c1-12(2)13-7-9-19(10-8-13)16-11-17-14-5-3-4-6-15(14)18-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyLUHVUKHXGLZDSM-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.50
Rot. Bonds2

About 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline

2-(4-propan-2-ylpiperidin-1-yl)quinoxaline (PubChem CID 59598901) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
PubChem CID59598901
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)quinoxaline
SMILESCC(C)C1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3/c1-12(2)13-7-9-19(10-8-13)16-11-17-14-5-3-4-6-15(14)18-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyLUHVUKHXGLZDSM-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline (CID 59598901) is 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline is CC(C)C1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline?
The InChIKey is LUHVUKHXGLZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)13-7-9-19(10-8-13)16-11-17-14-5-3-4-6-15(14)18-16/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline?
2-(4-propan-2-ylpiperidin-1-yl)quinoxaline has a molecular weight of 255.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)quinoxaline is sourced from PubChem (CID 59598901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).