1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine

C15H19BrN4 — CID 68506217

IUPAC1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cnc3ccc(Br)cc3n2)C1
InChIInChI=1S/C15H19BrN4/c1-19(2)12-4-3-7-20(10-12)15-9-17-13-6-5-11(16)8-14(13)18-15/h5-6,8-9,12H,3-4,7,10H2,1-2H3
InChIKeyVQWAGWCECGWHNL-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.92
Rot. Bonds2

About 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine

1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 68506217) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID68506217
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2cnc3ccc(Br)cc3n2)C1
InChIInChI=1S/C15H19BrN4/c1-19(2)12-4-3-7-20(10-12)15-9-17-13-6-5-11(16)8-14(13)18-15/h5-6,8-9,12H,3-4,7,10H2,1-2H3
InChIKeyVQWAGWCECGWHNL-UHFFFAOYSA-N
XLogP2.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine (CID 68506217) is 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2cnc3ccc(Br)cc3n2)C1.
What is the InChIKey of 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is VQWAGWCECGWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-19(2)12-4-3-7-20(10-12)15-9-17-13-6-5-11(16)8-14(13)18-15/h5-6,8-9,12H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine?
1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 335.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromoquinoxalin-2-yl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 68506217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).