9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine

C18H30N8 — CID 155512278

IUPAC9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine
SMILESCCN1CCN(CCCn2cnc3c(N4CCNCC4)ncnc32)CC1
InChIInChI=1S/C18H30N8/c1-2-23-10-12-24(13-11-23)6-3-7-26-15-22-16-17(20-14-21-18(16)26)25-8-4-19-5-9-25/h14-15,19H,2-13H2,1H3
InChIKeyVSUZXSNUTNZFNS-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.26
Rot. Bonds6

About 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine

9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine (PubChem CID 155512278) has the molecular formula C18H30N8 and a molecular weight of 358.49 g/mol. Its IUPAC name is 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine.

Molecular Properties

Compound Name9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine
PubChem CID155512278
Molecular FormulaC18H30N8
Molecular Weight358.49 g/mol
Exact Mass358.26
IUPAC Name9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine
SMILESCCN1CCN(CCCn2cnc3c(N4CCNCC4)ncnc32)CC1
InChIInChI=1S/C18H30N8/c1-2-23-10-12-24(13-11-23)6-3-7-26-15-22-16-17(20-14-21-18(16)26)25-8-4-19-5-9-25/h14-15,19H,2-13H2,1H3
InChIKeyVSUZXSNUTNZFNS-UHFFFAOYSA-N
XLogP0.26
TPSA65.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine?
The IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine (CID 155512278) is 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine.
What is the SMILES notation for 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine?
The canonical SMILES for 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine is CCN1CCN(CCCn2cnc3c(N4CCNCC4)ncnc32)CC1.
What is the InChIKey of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine?
The InChIKey is VSUZXSNUTNZFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8/c1-2-23-10-12-24(13-11-23)6-3-7-26-15-22-16-17(20-14-21-18(16)26)25-8-4-19-5-9-25/h14-15,19H,2-13H2,1H3.
What are the key properties of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine?
9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine has a molecular weight of 358.49 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperazin-1-ylpurine is sourced from PubChem (CID 155512278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).