2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline

C18H19N5 — CID 33378276

IUPAC2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
SMILESc1cncc(CN2CCN(c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C18H19N5/c1-2-6-17-16(5-1)20-13-18(21-17)23-10-8-22(9-11-23)14-15-4-3-7-19-12-15/h1-7,12-13H,8-11,14H2
InChIKeyXLWJJZISEFZQIE-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.35
Rot. Bonds3

About 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline

2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline (PubChem CID 33378276) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
PubChem CID33378276
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
SMILESc1cncc(CN2CCN(c3cnc4ccccc4n3)CC2)c1
InChIInChI=1S/C18H19N5/c1-2-6-17-16(5-1)20-13-18(21-17)23-10-8-22(9-11-23)14-15-4-3-7-19-12-15/h1-7,12-13H,8-11,14H2
InChIKeyXLWJJZISEFZQIE-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
CID 160916995
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290515
1-(3-fluorophenyl)-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propan-2-one
CID 149146623
1-methyl-1-phenyl-3-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]urea
CID 67034956
3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
CID 166225630
1-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]hex-5-yn-2-one
CID 153148663
2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]-1-thiophen-3-ylethanone
CID 159308184
3-cyclopropyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]propanamide
CID 67035302
1-methyl-N-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]indole-2-carboxamide
CID 67035150
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinoxaline
CID 171327302
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline (CID 33378276) is 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline is c1cncc(CN2CCN(c3cnc4ccccc4n3)CC2)c1.
What is the InChIKey of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline?
The InChIKey is XLWJJZISEFZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-6-17-16(5-1)20-13-18(21-17)23-10-8-22(9-11-23)14-15-4-3-7-19-12-15/h1-7,12-13H,8-11,14H2.
What are the key properties of 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline?
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline has a molecular weight of 305.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 33378276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).