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

C22H31N5O — CID 15838013

IUPAC2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C22H31N5O/c1-18-7-6-10-21(24-18)27-14-12-26(13-15-27)11-4-5-16-28-22-17-23-19-8-2-3-9-20(19)25-22/h6-7,10,17H,2-5,8-9,11-16H2,1H3
InChIKeyXVWCKMLHQMQFTJ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.04
Rot. Bonds7

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

2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (PubChem CID 15838013) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
PubChem CID15838013
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline
SMILESCc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1
InChIInChI=1S/C22H31N5O/c1-18-7-6-10-21(24-18)27-14-12-26(13-15-27)11-4-5-16-28-22-17-23-19-8-2-3-9-20(19)25-22/h6-7,10,17H,2-5,8-9,11-16H2,1H3
InChIKeyXVWCKMLHQMQFTJ-UHFFFAOYSA-N
XLogP3.04
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The IUPAC name of 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline (CID 15838013) is 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline.
What is the SMILES notation for 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The canonical SMILES for 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is Cc1cccc(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1.
What is the InChIKey of 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
The InChIKey is XVWCKMLHQMQFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-18-7-6-10-21(24-18)27-14-12-26(13-15-27)11-4-5-16-28-22-17-23-19-8-2-3-9-20(19)25-22/h6-7,10,17H,2-5,8-9,11-16H2,1H3.
What are the key properties of 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline?
2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline has a molecular weight of 381.52 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butoxy]-5,6,7,8-tetrahydroquinoxaline is sourced from PubChem (CID 15838013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).