6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine

C19H31N7 — CID 155522619

IUPAC6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine
SMILESCCN1CCN(c2ncnc3c2ncn3CCCN2CCCCC2)CC1
InChIInChI=1S/C19H31N7/c1-2-23-11-13-25(14-12-23)18-17-19(21-15-20-18)26(16-22-17)10-6-9-24-7-4-3-5-8-24/h15-16H,2-14H2,1H3
InChIKeyLDWGYNFWLYEGNU-UHFFFAOYSA-N
MW357.51 g/mol
LogP1.84
Rot. Bonds6

About 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine

6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine (PubChem CID 155522619) has the molecular formula C19H31N7 and a molecular weight of 357.51 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine
PubChem CID155522619
Molecular FormulaC19H31N7
Molecular Weight357.51 g/mol
Exact Mass357.26
IUPAC Name6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine
SMILESCCN1CCN(c2ncnc3c2ncn3CCCN2CCCCC2)CC1
InChIInChI=1S/C19H31N7/c1-2-23-11-13-25(14-12-23)18-17-19(21-15-20-18)26(16-22-17)10-6-9-24-7-4-3-5-8-24/h15-16H,2-14H2,1H3
InChIKeyLDWGYNFWLYEGNU-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

Analyze 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine 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 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine (CID 155522619) is 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine is CCN1CCN(c2ncnc3c2ncn3CCCN2CCCCC2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine?
The InChIKey is LDWGYNFWLYEGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7/c1-2-23-11-13-25(14-12-23)18-17-19(21-15-20-18)26(16-22-17)10-6-9-24-7-4-3-5-8-24/h15-16H,2-14H2,1H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine?
6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine 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 6-(4-ethylpiperazin-1-yl)-9-(3-piperidin-1-ylpropyl)purine is sourced from PubChem (CID 155522619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).