2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline

C17H22N4 — CID 66201727

IUPAC2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc2nc(CN3CCN(C4CNC4)CC3)ccc2c1
InChIInChI=1S/C17H22N4/c1-2-4-17-14(3-1)5-6-15(19-17)13-20-7-9-21(10-8-20)16-11-18-12-16/h1-6,16,18H,7-13H2
InChIKeyWCKUINUUXXABJM-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.32
Rot. Bonds3

About 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline

2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline (PubChem CID 66201727) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline
PubChem CID66201727
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline
SMILESc1ccc2nc(CN3CCN(C4CNC4)CC3)ccc2c1
InChIInChI=1S/C17H22N4/c1-2-4-17-14(3-1)5-6-15(19-17)13-20-7-9-21(10-8-20)16-11-18-12-16/h1-6,16,18H,7-13H2
InChIKeyWCKUINUUXXABJM-UHFFFAOYSA-N
XLogP1.32
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline?
The IUPAC name of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline (CID 66201727) is 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline is c1ccc2nc(CN3CCN(C4CNC4)CC3)ccc2c1.
What is the InChIKey of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline?
The InChIKey is WCKUINUUXXABJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-4-17-14(3-1)5-6-15(19-17)13-20-7-9-21(10-8-20)16-11-18-12-16/h1-6,16,18H,7-13H2.
What are the key properties of 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline?
2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline has a molecular weight of 282.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 66201727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).