6-(2-methylpiperidin-1-yl)-7H-purine

C11H15N5 — CID 131955162

IUPAC6-(2-methylpiperidin-1-yl)-7H-purine
SMILESCC1CCCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N5/c1-8-4-2-3-5-16(8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15)
InChIKeySCIHLBDFCFXLKT-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.73
Rot. Bonds1

About 6-(2-methylpiperidin-1-yl)-7H-purine

6-(2-methylpiperidin-1-yl)-7H-purine (PubChem CID 131955162) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 6-(2-methylpiperidin-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(2-methylpiperidin-1-yl)-7H-purine
PubChem CID131955162
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name6-(2-methylpiperidin-1-yl)-7H-purine
SMILESCC1CCCCN1c1ncnc2nc[nH]c12
InChIInChI=1S/C11H15N5/c1-8-4-2-3-5-16(8)11-9-10(13-6-12-9)14-7-15-11/h6-8H,2-5H2,1H3,(H,12,13,14,15)
InChIKeySCIHLBDFCFXLKT-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpiperidin-1-yl)-7H-purine?
The IUPAC name of 6-(2-methylpiperidin-1-yl)-7H-purine (CID 131955162) is 6-(2-methylpiperidin-1-yl)-7H-purine.
What is the SMILES notation for 6-(2-methylpiperidin-1-yl)-7H-purine?
The canonical SMILES for 6-(2-methylpiperidin-1-yl)-7H-purine is CC1CCCCN1c1ncnc2nc[nH]c12.
What is the InChIKey of 6-(2-methylpiperidin-1-yl)-7H-purine?
The InChIKey is SCIHLBDFCFXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-4-2-3-5-16(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-(2-methylpiperidin-1-yl)-7H-purine?
6-(2-methylpiperidin-1-yl)-7H-purine has a molecular weight of 217.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpiperidin-1-yl)-7H-purine is sourced from PubChem (CID 131955162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).