4-[4-(oxan-4-yl)piperazin-1-yl]quinoline

C18H23N3O — CID 172900616

IUPAC4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
SMILESc1ccc2c(N3CCN(C4CCOCC4)CC3)ccnc2c1
InChIInChI=1S/C18H23N3O/c1-2-4-17-16(3-1)18(5-8-19-17)21-11-9-20(10-12-21)15-6-13-22-14-7-15/h1-5,8,15H,6-7,9-14H2
InChIKeyKGKJTGYPHOEMCA-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.54
Rot. Bonds2

About 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline

4-[4-(oxan-4-yl)piperazin-1-yl]quinoline (PubChem CID 172900616) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
PubChem CID172900616
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-[4-(oxan-4-yl)piperazin-1-yl]quinoline
SMILESc1ccc2c(N3CCN(C4CCOCC4)CC3)ccnc2c1
InChIInChI=1S/C18H23N3O/c1-2-4-17-16(3-1)18(5-8-19-17)21-11-9-20(10-12-21)15-6-13-22-14-7-15/h1-5,8,15H,6-7,9-14H2
InChIKeyKGKJTGYPHOEMCA-UHFFFAOYSA-N
XLogP2.54
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
The IUPAC name of 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline (CID 172900616) is 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline is c1ccc2c(N3CCN(C4CCOCC4)CC3)ccnc2c1.
What is the InChIKey of 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
The InChIKey is KGKJTGYPHOEMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-4-17-16(3-1)18(5-8-19-17)21-11-9-20(10-12-21)15-6-13-22-14-7-15/h1-5,8,15H,6-7,9-14H2.
What are the key properties of 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline?
4-[4-(oxan-4-yl)piperazin-1-yl]quinoline has a molecular weight of 297.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxan-4-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 172900616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).