2-[(4-methylpiperazin-1-yl)methyl]quinoxaline

C14H18N4 — CID 173270392

IUPAC2-[(4-methylpiperazin-1-yl)methyl]quinoxaline
SMILESCN1CCN(Cc2cnc3ccccc3n2)CC1
InChIInChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)11-12-10-15-13-4-2-3-5-14(13)16-12/h2-5,10H,6-9,11H2,1H3
InChIKeyTZPSMNWFWLGLOY-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.38
Rot. Bonds2

About 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline

2-[(4-methylpiperazin-1-yl)methyl]quinoxaline (PubChem CID 173270392) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]quinoxaline
PubChem CID173270392
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]quinoxaline
SMILESCN1CCN(Cc2cnc3ccccc3n2)CC1
InChIInChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)11-12-10-15-13-4-2-3-5-14(13)16-12/h2-5,10H,6-9,11H2,1H3
InChIKeyTZPSMNWFWLGLOY-UHFFFAOYSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyclopentyloxypiperidin-1-yl)methyl]quinoxaline
CID 126819749
1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 126820172
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine
CID 56782052
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-quinoxalin-2-ylmethanamine
CID 107163357
5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine
CID 90722764
1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 20791675
6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910732
2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 167746759
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
CID 153361606
CID 153361606
(1S,5S)-9-(1-methylimidazol-2-yl)-3-(quinoxalin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064363
(3S)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 171706176

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline (CID 173270392) is 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline is CN1CCN(Cc2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline?
The InChIKey is TZPSMNWFWLGLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)11-12-10-15-13-4-2-3-5-14(13)16-12/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline?
2-[(4-methylpiperazin-1-yl)methyl]quinoxaline has a molecular weight of 242.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]quinoxaline is sourced from PubChem (CID 173270392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).