3-piperazin-1-ylquinoline;dihydrochloride

C13H17Cl2N3 — CID 54593446

IUPAC3-piperazin-1-ylquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2ncc(N3CCNCC3)cc2c1
InChIInChI=1S/C13H15N3.2ClH/c1-2-4-13-11(3-1)9-12(10-15-13)16-7-5-14-6-8-16;;/h1-4,9-10,14H,5-8H2;2*1H
InChIKeyCRYFWGJOUYIJKE-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.49
Rot. Bonds1

About 3-piperazin-1-ylquinoline;dihydrochloride

3-piperazin-1-ylquinoline;dihydrochloride (PubChem CID 54593446) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-piperazin-1-ylquinoline;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-ylquinoline;dihydrochloride
PubChem CID54593446
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name3-piperazin-1-ylquinoline;dihydrochloride
SMILESCl.Cl.c1ccc2ncc(N3CCNCC3)cc2c1
InChIInChI=1S/C13H15N3.2ClH/c1-2-4-13-11(3-1)9-12(10-15-13)16-7-5-14-6-8-16;;/h1-4,9-10,14H,5-8H2;2*1H
InChIKeyCRYFWGJOUYIJKE-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylquinoline;dihydrochloride?
The IUPAC name of 3-piperazin-1-ylquinoline;dihydrochloride (CID 54593446) is 3-piperazin-1-ylquinoline;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-ylquinoline;dihydrochloride?
The canonical SMILES for 3-piperazin-1-ylquinoline;dihydrochloride is Cl.Cl.c1ccc2ncc(N3CCNCC3)cc2c1.
What is the InChIKey of 3-piperazin-1-ylquinoline;dihydrochloride?
The InChIKey is CRYFWGJOUYIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.2ClH/c1-2-4-13-11(3-1)9-12(10-15-13)16-7-5-14-6-8-16;;/h1-4,9-10,14H,5-8H2;2*1H.
What are the key properties of 3-piperazin-1-ylquinoline;dihydrochloride?
3-piperazin-1-ylquinoline;dihydrochloride has a molecular weight of 286.21 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylquinoline;dihydrochloride is sourced from PubChem (CID 54593446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).