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

C17H31N5 — CID 68819461

IUPAC1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine
SMILESCCN1CCN(C2(N3CCN(CC)CC3)C=CC=CN2)CC1
InChIInChI=1S/C17H31N5/c1-3-19-9-13-21(14-10-19)17(7-5-6-8-18-17)22-15-11-20(4-2)12-16-22/h5-8,18H,3-4,9-16H2,1-2H3
InChIKeyDKQNUFFPUYNXDC-UHFFFAOYSA-N
MW305.47 g/mol
LogP0.59
Rot. Bonds4

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

1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine (PubChem CID 68819461) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine
PubChem CID68819461
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine
SMILESCCN1CCN(C2(N3CCN(CC)CC3)C=CC=CN2)CC1
InChIInChI=1S/C17H31N5/c1-3-19-9-13-21(14-10-19)17(7-5-6-8-18-17)22-15-11-20(4-2)12-16-22/h5-8,18H,3-4,9-16H2,1-2H3
InChIKeyDKQNUFFPUYNXDC-UHFFFAOYSA-N
XLogP0.59
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine (CID 68819461) is 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine is CCN1CCN(C2(N3CCN(CC)CC3)C=CC=CN2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine?
The InChIKey is DKQNUFFPUYNXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-3-19-9-13-21(14-10-19)17(7-5-6-8-18-17)22-15-11-20(4-2)12-16-22/h5-8,18H,3-4,9-16H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine?
1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine has a molecular weight of 305.47 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-ethylpiperazin-1-yl)-1H-pyridin-2-yl]piperazine is sourced from PubChem (CID 68819461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).