8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine

C23H22F2N6 — CID 58155619

IUPAC8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine
SMILESFc1ccccc1CNc1ncc2nc(-c3ccccc3F)n(C3CCNCC3)c2n1
InChIInChI=1S/C23H22F2N6/c24-18-7-3-1-5-15(18)13-27-23-28-14-20-22(30-23)31(16-9-11-26-12-10-16)21(29-20)17-6-2-4-8-19(17)25/h1-8,14,16,26H,9-13H2,(H,27,28,30)
InChIKeyCHYWTBHNPQMPKS-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.31
Rot. Bonds5

About 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine

8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine (PubChem CID 58155619) has the molecular formula C23H22F2N6 and a molecular weight of 420.47 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine
PubChem CID58155619
Molecular FormulaC23H22F2N6
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine
SMILESFc1ccccc1CNc1ncc2nc(-c3ccccc3F)n(C3CCNCC3)c2n1
InChIInChI=1S/C23H22F2N6/c24-18-7-3-1-5-15(18)13-27-23-28-14-20-22(30-23)31(16-9-11-26-12-10-16)21(29-20)17-6-2-4-8-19(17)25/h1-8,14,16,26H,9-13H2,(H,27,28,30)
InChIKeyCHYWTBHNPQMPKS-UHFFFAOYSA-N
XLogP4.31
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine?
The IUPAC name of 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine (CID 58155619) is 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine.
What is the SMILES notation for 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine?
The canonical SMILES for 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine is Fc1ccccc1CNc1ncc2nc(-c3ccccc3F)n(C3CCNCC3)c2n1.
What is the InChIKey of 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine?
The InChIKey is CHYWTBHNPQMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6/c24-18-7-3-1-5-15(18)13-27-23-28-14-20-22(30-23)31(16-9-11-26-12-10-16)21(29-20)17-6-2-4-8-19(17)25/h1-8,14,16,26H,9-13H2,(H,27,28,30).
What are the key properties of 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine?
8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine has a molecular weight of 420.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-9-piperidin-4-ylpurin-2-amine is sourced from PubChem (CID 58155619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).