3-(3-piperazin-1-ylpropyl)cinnoline

C15H20N4 — CID 116988016

IUPAC3-(3-piperazin-1-ylpropyl)cinnoline
SMILESc1ccc2nnc(CCCN3CCNCC3)cc2c1
InChIInChI=1S/C15H20N4/c1-2-6-15-13(4-1)12-14(17-18-15)5-3-9-19-10-7-16-8-11-19/h1-2,4,6,12,16H,3,5,7-11H2
InChIKeyIHPFPJKNXYSBMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.47
Rot. Bonds4

About 3-(3-piperazin-1-ylpropyl)cinnoline

3-(3-piperazin-1-ylpropyl)cinnoline (PubChem CID 116988016) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylpropyl)cinnoline.

Molecular Properties

Compound Name3-(3-piperazin-1-ylpropyl)cinnoline
PubChem CID116988016
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-(3-piperazin-1-ylpropyl)cinnoline
SMILESc1ccc2nnc(CCCN3CCNCC3)cc2c1
InChIInChI=1S/C15H20N4/c1-2-6-15-13(4-1)12-14(17-18-15)5-3-9-19-10-7-16-8-11-19/h1-2,4,6,12,16H,3,5,7-11H2
InChIKeyIHPFPJKNXYSBMF-UHFFFAOYSA-N
XLogP1.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperazin-1-ylpropyl)isoquinoline
CID 170868308
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
2-(3-piperazin-1-ylpropyl)quinolin-8-ol
CID 170868281
2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
2H-benzotriazole;1-pentylpiperazine
CID 174694727
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
4-(1-benzothiophen-2-yl)-2-(3-piperazin-1-ylpropyl)pyrimidine
CID 173121647
1-pentylpiperazine;quinazolin-2-amine
CID 175024376
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
N-(3-piperazin-1-ylpropyl)quinolin-4-amine
CID 61339738

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylpropyl)cinnoline?
The IUPAC name of 3-(3-piperazin-1-ylpropyl)cinnoline (CID 116988016) is 3-(3-piperazin-1-ylpropyl)cinnoline.
What is the SMILES notation for 3-(3-piperazin-1-ylpropyl)cinnoline?
The canonical SMILES for 3-(3-piperazin-1-ylpropyl)cinnoline is c1ccc2nnc(CCCN3CCNCC3)cc2c1.
What is the InChIKey of 3-(3-piperazin-1-ylpropyl)cinnoline?
The InChIKey is IHPFPJKNXYSBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-6-15-13(4-1)12-14(17-18-15)5-3-9-19-10-7-16-8-11-19/h1-2,4,6,12,16H,3,5,7-11H2.
What are the key properties of 3-(3-piperazin-1-ylpropyl)cinnoline?
3-(3-piperazin-1-ylpropyl)cinnoline has a molecular weight of 256.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylpropyl)cinnoline is sourced from PubChem (CID 116988016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).