9-methyl-2-piperidin-1-ylpurine

C11H15N5 — CID 20781954

IUPAC9-methyl-2-piperidin-1-ylpurine
SMILESCn1cnc2cnc(N3CCCCC3)nc21
InChIInChI=1S/C11H15N5/c1-15-8-13-9-7-12-11(14-10(9)15)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyOCEVVYAYSOQJPH-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.35
Rot. Bonds1

About 9-methyl-2-piperidin-1-ylpurine

9-methyl-2-piperidin-1-ylpurine (PubChem CID 20781954) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 9-methyl-2-piperidin-1-ylpurine.

Molecular Properties

Compound Name9-methyl-2-piperidin-1-ylpurine
PubChem CID20781954
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name9-methyl-2-piperidin-1-ylpurine
SMILESCn1cnc2cnc(N3CCCCC3)nc21
InChIInChI=1S/C11H15N5/c1-15-8-13-9-7-12-11(14-10(9)15)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyOCEVVYAYSOQJPH-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

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Related Compounds

9-Cyclopentyladenine
CID 12852
2-chloro-9-methyl-9H-purine
CID 7147173
9-Propyl-9h-purin-6-amine
CID 247436
9-Cyclohexyl-9H-purin-6-amine
CID 95121
6-(piperazin-1-yl)-9-propyl-9H-purine
CID 46228441
9-Butyl-9H-purin-6-amine
CID 75929
9-[2-(1-piperidinyl)ethyl]-9H-purin-6-amine
CID 908253
7-Methylpteridine
CID 589615
Imidazo(1,5-a)pyrazin-8-amine
CID 55276043
Dimethylaminopurine
CID 4312426
2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-piperidin-1-ylpurine?
The IUPAC name of 9-methyl-2-piperidin-1-ylpurine (CID 20781954) is 9-methyl-2-piperidin-1-ylpurine.
What is the SMILES notation for 9-methyl-2-piperidin-1-ylpurine?
The canonical SMILES for 9-methyl-2-piperidin-1-ylpurine is Cn1cnc2cnc(N3CCCCC3)nc21.
What is the InChIKey of 9-methyl-2-piperidin-1-ylpurine?
The InChIKey is OCEVVYAYSOQJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-15-8-13-9-7-12-11(14-10(9)15)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3.
What are the key properties of 9-methyl-2-piperidin-1-ylpurine?
9-methyl-2-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-2-piperidin-1-ylpurine is sourced from PubChem (CID 20781954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).