1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine

C20H28N6 — CID 57205712

IUPAC1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine
SMILESc1ccc(N2CCN(CCN3CCN(c4ccccn4)CC3)CC2)nc1
InChIInChI=1S/C20H28N6/c1-3-7-21-19(5-1)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)20-6-2-4-8-22-20/h1-8H,9-18H2
InChIKeyRJIYDUXZPSVWAK-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.42
Rot. Bonds5

About 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine

1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine (PubChem CID 57205712) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine
PubChem CID57205712
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine
SMILESc1ccc(N2CCN(CCN3CCN(c4ccccn4)CC3)CC2)nc1
InChIInChI=1S/C20H28N6/c1-3-7-21-19(5-1)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)20-6-2-4-8-22-20/h1-8H,9-18H2
InChIKeyRJIYDUXZPSVWAK-UHFFFAOYSA-N
XLogP1.42
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine?
The IUPAC name of 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine (CID 57205712) is 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine is c1ccc(N2CCN(CCN3CCN(c4ccccn4)CC3)CC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine?
The InChIKey is RJIYDUXZPSVWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-3-7-21-19(5-1)25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)20-6-2-4-8-22-20/h1-8H,9-18H2.
What are the key properties of 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine?
1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine has a molecular weight of 352.49 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazine is sourced from PubChem (CID 57205712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).