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

C19H31N7 — CID 155533267

IUPAC9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine
SMILESCCN1CCN(CCCn2cnc3c(N4CCCCC4)ncnc32)CC1
InChIInChI=1S/C19H31N7/c1-2-23-11-13-24(14-12-23)7-6-10-26-16-22-17-18(20-15-21-19(17)26)25-8-4-3-5-9-25/h15-16H,2-14H2,1H3
InChIKeyNNJKTPKPJNWBHB-UHFFFAOYSA-N
MW357.51 g/mol
LogP1.84
Rot. Bonds6

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

9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine (PubChem CID 155533267) has the molecular formula C19H31N7 and a molecular weight of 357.51 g/mol. Its IUPAC name is 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine.

Molecular Properties

Compound Name9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine
PubChem CID155533267
Molecular FormulaC19H31N7
Molecular Weight357.51 g/mol
Exact Mass357.26
IUPAC Name9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine
SMILESCCN1CCN(CCCn2cnc3c(N4CCCCC4)ncnc32)CC1
InChIInChI=1S/C19H31N7/c1-2-23-11-13-24(14-12-23)7-6-10-26-16-22-17-18(20-15-21-19(17)26)25-8-4-3-5-9-25/h15-16H,2-14H2,1H3
InChIKeyNNJKTPKPJNWBHB-UHFFFAOYSA-N
XLogP1.84
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine?
The IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine (CID 155533267) is 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine.
What is the SMILES notation for 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine?
The canonical SMILES for 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine is CCN1CCN(CCCn2cnc3c(N4CCCCC4)ncnc32)CC1.
What is the InChIKey of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine?
The InChIKey is NNJKTPKPJNWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7/c1-2-23-11-13-24(14-12-23)7-6-10-26-16-22-17-18(20-15-21-19(17)26)25-8-4-3-5-9-25/h15-16H,2-14H2,1H3.
What are the key properties of 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine?
9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine has a molecular weight of 357.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-ethylpiperazin-1-yl)propyl]-6-piperidin-1-ylpurine is sourced from PubChem (CID 155533267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).