1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride

C14H17ClN4 — CID 23133526

IUPAC1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
SMILESCl.c1cncc(-c2ccc(N3CCNCC3)nc2)c1
InChIInChI=1S/C14H16N4.ClH/c1-2-12(10-16-5-1)13-3-4-14(17-11-13)18-8-6-15-7-9-18;/h1-5,10-11,15H,6-9H2;1H
InChIKeyQOULRSKFPDYZAJ-UHFFFAOYSA-N
MW276.77 g/mol
LogP1.98
Rot. Bonds2

About 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride

1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride (PubChem CID 23133526) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
PubChem CID23133526
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
SMILESCl.c1cncc(-c2ccc(N3CCNCC3)nc2)c1
InChIInChI=1S/C14H16N4.ClH/c1-2-12(10-16-5-1)13-3-4-14(17-11-13)18-8-6-15-7-9-18;/h1-5,10-11,15H,6-9H2;1H
InChIKeyQOULRSKFPDYZAJ-UHFFFAOYSA-N
XLogP1.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride (CID 23133526) is 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride is Cl.c1cncc(-c2ccc(N3CCNCC3)nc2)c1.
What is the InChIKey of 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is QOULRSKFPDYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4.ClH/c1-2-12(10-16-5-1)13-3-4-14(17-11-13)18-8-6-15-7-9-18;/h1-5,10-11,15H,6-9H2;1H.
What are the key properties of 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride?
1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 23133526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).