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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Related Compounds

3-[9-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-6-morpholin-4-ylpurin-2-yl]phenol
CID 25073083
[3-[6-morpholin-4-yl-9-[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]purin-2-yl]phenyl]methanol
CID 25072769
[3-(7-morpholin-4-yl-3-piperidin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]methanol
CID 68637908
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
4-(2-pentyl-9-piperidin-4-ylpurin-6-yl)morpholine
CID 69090766
3-[2-morpholin-4-yl-9-(oxolan-3-yl)purin-6-yl]phenol
CID 25256550
tert-butyl formate;4-(2-chloro-9-piperidin-4-ylpurin-6-yl)morpholine
CID 174595291
3-[5-methyl-4-morpholin-4-yl-6-(oxolan-3-ylamino)pyrimidin-2-yl]phenol
CID 90426358
3-(6-morpholin-4-yl-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-4-yl)phenol
CID 56838481
3-(8-morpholin-4-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-6-yl)phenol
CID 118213801
3-[7-[(cyclohexylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol;3-[7-[(cyclopropylamino)methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 159591396
3-[7-(aminomethyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenol
CID 131994380

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).