4-(piperazin-1-ylmethyl)cinnoline

C13H16N4 — CID 83893270

IUPAC4-(piperazin-1-ylmethyl)cinnoline
SMILESc1ccc2c(CN3CCNCC3)cnnc2c1
InChIInChI=1S/C13H16N4/c1-2-4-13-12(3-1)11(9-15-16-13)10-17-7-5-14-6-8-17/h1-4,9,14H,5-8,10H2
InChIKeyQYAZWFXECRORIA-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.03
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)cinnoline

4-(piperazin-1-ylmethyl)cinnoline (PubChem CID 83893270) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)cinnoline.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)cinnoline
PubChem CID83893270
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(piperazin-1-ylmethyl)cinnoline
SMILESc1ccc2c(CN3CCNCC3)cnnc2c1
InChIInChI=1S/C13H16N4/c1-2-4-13-12(3-1)11(9-15-16-13)10-17-7-5-14-6-8-17/h1-4,9,14H,5-8,10H2
InChIKeyQYAZWFXECRORIA-UHFFFAOYSA-N
XLogP1.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)cinnoline?
The IUPAC name of 4-(piperazin-1-ylmethyl)cinnoline (CID 83893270) is 4-(piperazin-1-ylmethyl)cinnoline.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)cinnoline?
The canonical SMILES for 4-(piperazin-1-ylmethyl)cinnoline is c1ccc2c(CN3CCNCC3)cnnc2c1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)cinnoline?
The InChIKey is QYAZWFXECRORIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-13-12(3-1)11(9-15-16-13)10-17-7-5-14-6-8-17/h1-4,9,14H,5-8,10H2.
What are the key properties of 4-(piperazin-1-ylmethyl)cinnoline?
4-(piperazin-1-ylmethyl)cinnoline has a molecular weight of 228.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)cinnoline is sourced from PubChem (CID 83893270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).