2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

C21H30N6O — CID 23368036

IUPAC2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCc1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C21H30N6O/c1-17-8-9-22-21(24-17)27-13-11-26(12-14-27)10-4-5-15-28-20-16-23-18-6-2-3-7-19(18)25-20/h8-9,16H,2-7,10-15H2,1H3
InChIKeyAMSVSGPJMAVEOZ-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.44
Rot. Bonds7

About 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline

2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (PubChem CID 23368036) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
PubChem CID23368036
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCc1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C21H30N6O/c1-17-8-9-22-21(24-17)27-13-11-26(12-14-27)10-4-5-15-28-20-16-23-18-6-2-3-7-19(18)25-20/h8-9,16H,2-7,10-15H2,1H3
InChIKeyAMSVSGPJMAVEOZ-UHFFFAOYSA-N
XLogP2.44
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654545
2-[4-[4-[6-(4-methylphenoxy)-2-pyridinyl]piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
CID 139670744
2-[4-[4-(5,6-dimethylpyrazin-2-yl)oxybutyl]piperazin-1-yl]-4,6-dimethoxypyrimidine
CID 139654546
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426
2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800537
2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 163357654
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 115974288
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654548
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (CID 23368036) is 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is Cc1ccnc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1.
What is the InChIKey of 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is AMSVSGPJMAVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-17-8-9-22-21(24-17)27-13-11-26(12-14-27)10-4-5-15-28-20-16-23-18-6-2-3-7-19(18)25-20/h8-9,16H,2-7,10-15H2,1H3.
What are the key properties of 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 382.51 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 23368036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).