2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline

C18H21N5 — CID 131918904

IUPAC2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
SMILESCc1nccn1CC1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C18H21N5/c1-14-19-8-10-22(14)12-15-5-4-9-23(13-15)18-11-20-16-6-2-3-7-17(16)21-18/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3
InChIKeyIOFWNKUNUJANRK-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds3

About 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline

2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline (PubChem CID 131918904) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
PubChem CID131918904
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
SMILESCc1nccn1CC1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C18H21N5/c1-14-19-8-10-22(14)12-15-5-4-9-23(13-15)18-11-20-16-6-2-3-7-17(16)21-18/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3
InChIKeyIOFWNKUNUJANRK-UHFFFAOYSA-N
XLogP3.05
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline?
The IUPAC name of 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline (CID 131918904) is 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline is Cc1nccn1CC1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline?
The InChIKey is IOFWNKUNUJANRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-19-8-10-22(14)12-15-5-4-9-23(13-15)18-11-20-16-6-2-3-7-17(16)21-18/h2-3,6-8,10-11,15H,4-5,9,12-13H2,1H3.
What are the key properties of 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline?
2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline has a molecular weight of 307.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline is sourced from PubChem (CID 131918904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).