3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol

C17H19N5O — CID 155513710

IUPAC3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol
SMILESCn1cnc2c(N3CCCCC3)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C17H19N5O/c1-21-11-18-14-16(21)19-15(12-6-5-7-13(23)10-12)20-17(14)22-8-3-2-4-9-22/h5-7,10-11,23H,2-4,8-9H2,1H3
InChIKeyYVWYIDMUPOLMLY-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.73
Rot. Bonds2

About 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol

3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol (PubChem CID 155513710) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol.

Molecular Properties

Compound Name3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol
PubChem CID155513710
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol
SMILESCn1cnc2c(N3CCCCC3)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C17H19N5O/c1-21-11-18-14-16(21)19-15(12-6-5-7-13(23)10-12)20-17(14)22-8-3-2-4-9-22/h5-7,10-11,23H,2-4,8-9H2,1H3
InChIKeyYVWYIDMUPOLMLY-UHFFFAOYSA-N
XLogP2.73
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol?
The IUPAC name of 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol (CID 155513710) is 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol.
What is the SMILES notation for 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol?
The canonical SMILES for 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol is Cn1cnc2c(N3CCCCC3)nc(-c3cccc(O)c3)nc21.
What is the InChIKey of 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol?
The InChIKey is YVWYIDMUPOLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-11-18-14-16(21)19-15(12-6-5-7-13(23)10-12)20-17(14)22-8-3-2-4-9-22/h5-7,10-11,23H,2-4,8-9H2,1H3.
What are the key properties of 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol?
3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol has a molecular weight of 309.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-6-piperidin-1-ylpurin-2-yl)phenol is sourced from PubChem (CID 155513710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).