piperazine;quinoline;hydrochloride

C13H18ClN3 — CID 161171284

IUPACpiperazine;quinoline;hydrochloride
SMILESC1CNCCN1.Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H10N2.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-4-3-5-1;/h1-7H;5-6H,1-4H2;1H
InChIKeyURFBJSKLANOEQM-UHFFFAOYSA-N
MW251.76 g/mol
LogP1.84
Rot. Bonds

About piperazine;quinoline;hydrochloride

piperazine;quinoline;hydrochloride (PubChem CID 161171284) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is piperazine;quinoline;hydrochloride.

Molecular Properties

Compound Namepiperazine;quinoline;hydrochloride
PubChem CID161171284
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Namepiperazine;quinoline;hydrochloride
SMILESC1CNCCN1.Cl.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C4H10N2.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-4-3-5-1;/h1-7H;5-6H,1-4H2;1H
InChIKeyURFBJSKLANOEQM-UHFFFAOYSA-N
XLogP1.84
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine;quinoline;hydrochloride?
The IUPAC name of piperazine;quinoline;hydrochloride (CID 161171284) is piperazine;quinoline;hydrochloride.
What is the SMILES notation for piperazine;quinoline;hydrochloride?
The canonical SMILES for piperazine;quinoline;hydrochloride is C1CNCCN1.Cl.c1ccc2ncccc2c1.
What is the InChIKey of piperazine;quinoline;hydrochloride?
The InChIKey is URFBJSKLANOEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H10N2.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-6-4-3-5-1;/h1-7H;5-6H,1-4H2;1H.
What are the key properties of piperazine;quinoline;hydrochloride?
piperazine;quinoline;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;quinoline;hydrochloride is sourced from PubChem (CID 161171284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).