1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine

C15H22N6 — CID 162074904

IUPAC1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine
SMILESCC(=Nc1ncnc2c1ncn2C(C)C)N1CCCCC1
InChIInChI=1S/C15H22N6/c1-11(2)21-10-18-13-14(16-9-17-15(13)21)19-12(3)20-7-5-4-6-8-20/h9-11H,4-8H2,1-3H3
InChIKeyYVIBDHOEPYEKBZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds2

About 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine

1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine (PubChem CID 162074904) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine
PubChem CID162074904
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine
SMILESCC(=Nc1ncnc2c1ncn2C(C)C)N1CCCCC1
InChIInChI=1S/C15H22N6/c1-11(2)21-10-18-13-14(16-9-17-15(13)21)19-12(3)20-7-5-4-6-8-20/h9-11H,4-8H2,1-3H3
InChIKeyYVIBDHOEPYEKBZ-UHFFFAOYSA-N
XLogP2.94
TPSA59.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine 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 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine?
The IUPAC name of 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine (CID 162074904) is 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine.
What is the SMILES notation for 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine?
The canonical SMILES for 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine is CC(=Nc1ncnc2c1ncn2C(C)C)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine?
The InChIKey is YVIBDHOEPYEKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11(2)21-10-18-13-14(16-9-17-15(13)21)19-12(3)20-7-5-4-6-8-20/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine?
1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine has a molecular weight of 286.38 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-(9-propan-2-ylpurin-6-yl)ethanimine is sourced from PubChem (CID 162074904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).