6-(4-methylpiperidin-1-yl)-7H-purine

C11H15N5 — CID 756692

IUPAC6-(4-methylpiperidin-1-yl)-7H-purine
SMILESCC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H15N5/c1-8-2-4-16(5-3-8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyOUNRAWGIKYOXGG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.59
Rot. Bonds1

About 6-(4-methylpiperidin-1-yl)-7H-purine

6-(4-methylpiperidin-1-yl)-7H-purine (PubChem CID 756692) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-7H-purine
PubChem CID756692
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-(4-methylpiperidin-1-yl)-7H-purine
SMILESCC1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C11H15N5/c1-8-2-4-16(5-3-8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyOUNRAWGIKYOXGG-UHFFFAOYSA-N
XLogP1.59
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
Isopentenyladenine
CID 92180
6-Dimethylaminopurine
CID 3134
N6-Methyladenine
CID 67955
6-Morpholin-4-YL-9H-purine
CID 76098
2-Methyladenine
CID 15048
9-Cyclopentyladenine
CID 12852
Dihydrozeatin
CID 439631
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
6-(4-methylpiperazin-1-yl)-7H-purine
CID 756701
6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
CID 5288616

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-7H-purine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-7H-purine (CID 756692) is 6-(4-methylpiperidin-1-yl)-7H-purine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-7H-purine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-7H-purine is CC1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-7H-purine?
The InChIKey is OUNRAWGIKYOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-2-4-16(5-3-8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 6-(4-methylpiperidin-1-yl)-7H-purine?
6-(4-methylpiperidin-1-yl)-7H-purine has a molecular weight of 217.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-7H-purine is sourced from PubChem (CID 756692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).