8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine

C22H19Cl2N5 — CID 25190878

IUPAC8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine
SMILESClc1ccc(-n2c(-c3ccccc3Cl)nc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2
InChIKeyFUJXLLMAGNFIBI-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.78
Rot. Bonds3

About 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine

8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine (PubChem CID 25190878) has the molecular formula C22H19Cl2N5 and a molecular weight of 424.34 g/mol. Its IUPAC name is 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine.

Molecular Properties

Compound Name8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine
PubChem CID25190878
Molecular FormulaC22H19Cl2N5
Molecular Weight424.34 g/mol
Exact Mass423.10
IUPAC Name8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine
SMILESClc1ccc(-n2c(-c3ccccc3Cl)nc3c(N4CCCCC4)ncnc32)cc1
InChIInChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2
InChIKeyFUJXLLMAGNFIBI-UHFFFAOYSA-N
XLogP5.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
The IUPAC name of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine (CID 25190878) is 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine.
What is the SMILES notation for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
The canonical SMILES for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine is Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(N4CCCCC4)ncnc32)cc1.
What is the InChIKey of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
The InChIKey is FUJXLLMAGNFIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2.
What are the key properties of 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine?
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine has a molecular weight of 424.34 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-piperidin-1-ylpurine is sourced from PubChem (CID 25190878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).