3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol

C20H24N6O2 — CID 46225280

IUPAC3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-20(24-18)26(13-22-17)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2
InChIKeyZNNJFEULXHWOFQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.96
Rot. Bonds3

About 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol

3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol (PubChem CID 46225280) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol.

Molecular Properties

Compound Name3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
PubChem CID46225280
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1
InChIInChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-20(24-18)26(13-22-17)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2
InChIKeyZNNJFEULXHWOFQ-UHFFFAOYSA-N
XLogP1.96
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol?
The IUPAC name of 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol (CID 46225280) is 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol.
What is the SMILES notation for 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol?
The canonical SMILES for 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol is Oc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCNCC4)c3n2)c1.
What is the InChIKey of 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol?
The InChIKey is ZNNJFEULXHWOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-16-3-1-2-14(12-16)18-23-19(25-8-10-28-11-9-25)17-20(24-18)26(13-22-17)15-4-6-21-7-5-15/h1-3,12-13,15,21,27H,4-11H2.
What are the key properties of 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol?
3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol has a molecular weight of 380.45 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-morpholin-4-yl-9-piperidin-4-ylpurin-2-yl)phenol is sourced from PubChem (CID 46225280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).