6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine

C15H23N5O — CID 122152956

IUPAC6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine
SMILESCCOCC1CCCCN1c1ncnc2c1ncn2CC
InChIInChI=1S/C15H23N5O/c1-3-19-11-18-13-14(19)16-10-17-15(13)20-8-6-5-7-12(20)9-21-4-2/h10-12H,3-9H2,1-2H3
InChIKeyAVKIJMBRUGNFCY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.24
Rot. Bonds5

About 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine

6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine (PubChem CID 122152956) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine.

Molecular Properties

Compound Name6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine
PubChem CID122152956
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine
SMILESCCOCC1CCCCN1c1ncnc2c1ncn2CC
InChIInChI=1S/C15H23N5O/c1-3-19-11-18-13-14(19)16-10-17-15(13)20-8-6-5-7-12(20)9-21-4-2/h10-12H,3-9H2,1-2H3
InChIKeyAVKIJMBRUGNFCY-UHFFFAOYSA-N
XLogP2.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine?
The IUPAC name of 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine (CID 122152956) is 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine.
What is the SMILES notation for 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine?
The canonical SMILES for 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine is CCOCC1CCCCN1c1ncnc2c1ncn2CC.
What is the InChIKey of 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine?
The InChIKey is AVKIJMBRUGNFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-19-11-18-13-14(19)16-10-17-15(13)20-8-6-5-7-12(20)9-21-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine?
6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine has a molecular weight of 289.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine is sourced from PubChem (CID 122152956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).