1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine

C21H46N8 — CID 67764532

IUPAC1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine
SMILESC1CN(CCN2CCNCC2)CCN1.CC(CN1CCNCC1)N1CCNCC1
InChIInChI=1S/C11H24N4.C10H22N4/c1-11(15-8-4-13-5-9-15)10-14-6-2-12-3-7-14;1-5-13(6-2-11-1)9-10-14-7-3-12-4-8-14/h11-13H,2-10H2,1H3;11-12H,1-10H2
InChIKeyGSFOIXYUAZBAMD-UHFFFAOYSA-N
MW410.66 g/mol
LogP-2.02
Rot. Bonds6

About 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine

1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine (PubChem CID 67764532) has the molecular formula C21H46N8 and a molecular weight of 410.66 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine
PubChem CID67764532
Molecular FormulaC21H46N8
Molecular Weight410.66 g/mol
Exact Mass410.38
IUPAC Name1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine
SMILESC1CN(CCN2CCNCC2)CCN1.CC(CN1CCNCC1)N1CCNCC1
InChIInChI=1S/C11H24N4.C10H22N4/c1-11(15-8-4-13-5-9-15)10-14-6-2-12-3-7-14;1-5-13(6-2-11-1)9-10-14-7-3-12-4-8-14/h11-13H,2-10H2,1H3;11-12H,1-10H2
InChIKeyGSFOIXYUAZBAMD-UHFFFAOYSA-N
XLogP-2.02
TPSA61.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.66
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine?
The IUPAC name of 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine (CID 67764532) is 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine is C1CN(CCN2CCNCC2)CCN1.CC(CN1CCNCC1)N1CCNCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine?
The InChIKey is GSFOIXYUAZBAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4.C10H22N4/c1-11(15-8-4-13-5-9-15)10-14-6-2-12-3-7-14;1-5-13(6-2-11-1)9-10-14-7-3-12-4-8-14/h11-13H,2-10H2,1H3;11-12H,1-10H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine?
1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine has a molecular weight of 410.66 g/mol, XLogP of -2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)piperazine;1-(1-piperazin-1-ylpropan-2-yl)piperazine is sourced from PubChem (CID 67764532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).