1-(2-pyridin-2-ylethyl)piperazine-1,4-diium

C11H19N3+2 — CID 7009455

IUPAC1-(2-pyridin-2-ylethyl)piperazine-1,4-diium
SMILESc1ccc(CC[NH+]2CC[NH2+]CC2)nc1
InChIInChI=1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2/p+2
InChIKeyNJUNCRDVGUBYCB-UHFFFAOYSA-P
MW193.29 g/mol
LogP-1.91
Rot. Bonds3

About 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium

1-(2-pyridin-2-ylethyl)piperazine-1,4-diium (PubChem CID 7009455) has the molecular formula C11H19N3+2 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-(2-pyridin-2-ylethyl)piperazine-1,4-diium
PubChem CID7009455
Molecular FormulaC11H19N3+2
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(2-pyridin-2-ylethyl)piperazine-1,4-diium
SMILESc1ccc(CC[NH+]2CC[NH2+]CC2)nc1
InChIInChI=1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2/p+2
InChIKeyNJUNCRDVGUBYCB-UHFFFAOYSA-P
XLogP-1.91
TPSA33.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-1.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium?
The IUPAC name of 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium (CID 7009455) is 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium.
What is the SMILES notation for 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium?
The canonical SMILES for 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium is c1ccc(CC[NH+]2CC[NH2+]CC2)nc1.
What is the InChIKey of 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium?
The InChIKey is NJUNCRDVGUBYCB-UHFFFAOYSA-P. The full InChI is InChI=1S/C11H17N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-3,5,12H,4,6-10H2/p+2.
What are the key properties of 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium?
1-(2-pyridin-2-ylethyl)piperazine-1,4-diium has a molecular weight of 193.29 g/mol, XLogP of -1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylethyl)piperazine-1,4-diium is sourced from PubChem (CID 7009455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).