2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol

C15H19BrN4O — CID 67476073

IUPAC2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Nc2cnc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C15H19BrN4O/c16-11-1-2-13-14(9-11)19-15(10-17-13)18-12-3-5-20(6-4-12)7-8-21/h1-2,9-10,12,21H,3-8H2,(H,18,19)
InChIKeyGUCAPQPQGPUYGQ-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol

2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol (PubChem CID 67476073) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol
PubChem CID67476073
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Nc2cnc3ccc(Br)cc3n2)CC1
InChIInChI=1S/C15H19BrN4O/c16-11-1-2-13-14(9-11)19-15(10-17-13)18-12-3-5-20(6-4-12)7-8-21/h1-2,9-10,12,21H,3-8H2,(H,18,19)
InChIKeyGUCAPQPQGPUYGQ-UHFFFAOYSA-N
XLogP2.26
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol (CID 67476073) is 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol is OCCN1CCC(Nc2cnc3ccc(Br)cc3n2)CC1.
What is the InChIKey of 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is GUCAPQPQGPUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c16-11-1-2-13-14(9-11)19-15(10-17-13)18-12-3-5-20(6-4-12)7-8-21/h1-2,9-10,12,21H,3-8H2,(H,18,19).
What are the key properties of 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol?
2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 351.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 67476073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).