2-(4-propan-2-ylpiperazin-1-yl)quinoline

C16H21N3 — CID 11393294

IUPAC2-(4-propan-2-ylpiperazin-1-yl)quinoline
SMILESCC(C)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3/c1-13(2)18-9-11-19(12-10-18)16-8-7-14-5-3-4-6-15(14)17-16/h3-8,13H,9-12H2,1-2H3
InChIKeyWICRMWNIFYTKBK-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-propan-2-ylpiperazin-1-yl)quinoline

2-(4-propan-2-ylpiperazin-1-yl)quinoline (PubChem CID 11393294) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)quinoline
PubChem CID11393294
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)quinoline
SMILESCC(C)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3/c1-13(2)18-9-11-19(12-10-18)16-8-7-14-5-3-4-6-15(14)17-16/h3-8,13H,9-12H2,1-2H3
InChIKeyWICRMWNIFYTKBK-UHFFFAOYSA-N
XLogP2.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)quinoline?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)quinoline (CID 11393294) is 2-(4-propan-2-ylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)quinoline?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)quinoline is CC(C)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)quinoline?
The InChIKey is WICRMWNIFYTKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(2)18-9-11-19(12-10-18)16-8-7-14-5-3-4-6-15(14)17-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)quinoline?
2-(4-propan-2-ylpiperazin-1-yl)quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)quinoline is sourced from PubChem (CID 11393294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).