N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine

C17H24N4O — CID 71879900

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine
SMILESCOCCN1CCC(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H24N4O/c1-22-11-10-21-8-6-14(7-9-21)12-19-17-13-18-15-4-2-3-5-16(15)20-17/h2-5,13-14H,6-12H2,1H3,(H,19,20)
InChIKeyAOPQSSPWVCYSMP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.40
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine (PubChem CID 71879900) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine
PubChem CID71879900
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine
SMILESCOCCN1CCC(CNc2cnc3ccccc3n2)CC1
InChIInChI=1S/C17H24N4O/c1-22-11-10-21-8-6-14(7-9-21)12-19-17-13-18-15-4-2-3-5-16(15)20-17/h2-5,13-14H,6-12H2,1H3,(H,19,20)
InChIKeyAOPQSSPWVCYSMP-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine (CID 71879900) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine is COCCN1CCC(CNc2cnc3ccccc3n2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine?
The InChIKey is AOPQSSPWVCYSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-22-11-10-21-8-6-14(7-9-21)12-19-17-13-18-15-4-2-3-5-16(15)20-17/h2-5,13-14H,6-12H2,1H3,(H,19,20).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 71879900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).