6-bromo-3-methyl-2-piperidin-1-ylquinoxaline

C14H16BrN3 — CID 122189746

IUPAC6-bromo-3-methyl-2-piperidin-1-ylquinoxaline
SMILESCc1nc2cc(Br)ccc2nc1N1CCCCC1
InChIInChI=1S/C14H16BrN3/c1-10-14(18-7-3-2-4-8-18)17-12-6-5-11(15)9-13(12)16-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWABNGVPIFBSXRL-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.69
Rot. Bonds1

About 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline

6-bromo-3-methyl-2-piperidin-1-ylquinoxaline (PubChem CID 122189746) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline.

Molecular Properties

Compound Name6-bromo-3-methyl-2-piperidin-1-ylquinoxaline
PubChem CID122189746
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-bromo-3-methyl-2-piperidin-1-ylquinoxaline
SMILESCc1nc2cc(Br)ccc2nc1N1CCCCC1
InChIInChI=1S/C14H16BrN3/c1-10-14(18-7-3-2-4-8-18)17-12-6-5-11(15)9-13(12)16-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWABNGVPIFBSXRL-UHFFFAOYSA-N
XLogP3.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline?
The IUPAC name of 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline (CID 122189746) is 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline.
What is the SMILES notation for 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline?
The canonical SMILES for 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline is Cc1nc2cc(Br)ccc2nc1N1CCCCC1.
What is the InChIKey of 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline?
The InChIKey is WABNGVPIFBSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-10-14(18-7-3-2-4-8-18)17-12-6-5-11(15)9-13(12)16-10/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline?
6-bromo-3-methyl-2-piperidin-1-ylquinoxaline has a molecular weight of 306.21 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-piperidin-1-ylquinoxaline is sourced from PubChem (CID 122189746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).