4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine

C20H25N7O — CID 168923593

IUPAC4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine
SMILESCN1CCCC(c2nc(N3CCOCC3)nc3c2ncn3-c2cccnc2)C1
InChIInChI=1S/C20H25N7O/c1-25-7-3-4-15(13-25)17-18-19(24-20(23-17)26-8-10-28-11-9-26)27(14-22-18)16-5-2-6-21-12-16/h2,5-6,12,14-15H,3-4,7-11,13H2,1H3
InChIKeyJSNLXLIPYISWMD-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.86
Rot. Bonds3

About 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine

4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine (PubChem CID 168923593) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine
PubChem CID168923593
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine
SMILESCN1CCCC(c2nc(N3CCOCC3)nc3c2ncn3-c2cccnc2)C1
InChIInChI=1S/C20H25N7O/c1-25-7-3-4-15(13-25)17-18-19(24-20(23-17)26-8-10-28-11-9-26)27(14-22-18)16-5-2-6-21-12-16/h2,5-6,12,14-15H,3-4,7-11,13H2,1H3
InChIKeyJSNLXLIPYISWMD-UHFFFAOYSA-N
XLogP1.86
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 60202647
CID 9953906
CID 9953906
CID 5328348
CID 5328348
CID 9842276
CID 9842276
CID 12111409
CID 12111409
CID 12111411
CID 12111411
CID 24889936
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CID 25053130
CID 25053130

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine?
The IUPAC name of 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine (CID 168923593) is 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine?
The canonical SMILES for 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine is CN1CCCC(c2nc(N3CCOCC3)nc3c2ncn3-c2cccnc2)C1.
What is the InChIKey of 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine?
The InChIKey is JSNLXLIPYISWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-25-7-3-4-15(13-25)17-18-19(24-20(23-17)26-8-10-28-11-9-26)27(14-22-18)16-5-2-6-21-12-16/h2,5-6,12,14-15H,3-4,7-11,13H2,1H3.
What are the key properties of 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine?
4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine has a molecular weight of 379.47 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1-methylpiperidin-3-yl)-9-pyridin-3-ylpurin-2-yl]morpholine is sourced from PubChem (CID 168923593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).