9-methyl-8-piperidin-1-ylpurine

C11H15N5 — CID 171383960

IUPAC9-methyl-8-piperidin-1-ylpurine
SMILESCn1c(N2CCCCC2)nc2cncnc21
InChIInChI=1S/C11H15N5/c1-15-10-9(7-12-8-13-10)14-11(15)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyOPNMYBVJMKLJQS-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.35
Rot. Bonds1

About 9-methyl-8-piperidin-1-ylpurine

9-methyl-8-piperidin-1-ylpurine (PubChem CID 171383960) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 9-methyl-8-piperidin-1-ylpurine.

Molecular Properties

Compound Name9-methyl-8-piperidin-1-ylpurine
PubChem CID171383960
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name9-methyl-8-piperidin-1-ylpurine
SMILESCn1c(N2CCCCC2)nc2cncnc21
InChIInChI=1S/C11H15N5/c1-15-10-9(7-12-8-13-10)14-11(15)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyOPNMYBVJMKLJQS-UHFFFAOYSA-N
XLogP1.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-methyl-8-piperidin-1-ylpurine 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 9-methyl-8-piperidin-1-ylpurine?
The IUPAC name of 9-methyl-8-piperidin-1-ylpurine (CID 171383960) is 9-methyl-8-piperidin-1-ylpurine.
What is the SMILES notation for 9-methyl-8-piperidin-1-ylpurine?
The canonical SMILES for 9-methyl-8-piperidin-1-ylpurine is Cn1c(N2CCCCC2)nc2cncnc21.
What is the InChIKey of 9-methyl-8-piperidin-1-ylpurine?
The InChIKey is OPNMYBVJMKLJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-15-10-9(7-12-8-13-10)14-11(15)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3.
What are the key properties of 9-methyl-8-piperidin-1-ylpurine?
9-methyl-8-piperidin-1-ylpurine has a molecular weight of 217.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8-piperidin-1-ylpurine is sourced from PubChem (CID 171383960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).