3-(6-piperidin-1-yl-7H-purin-2-yl)phenol

C16H17N5O — CID 25070230

IUPAC3-(6-piperidin-1-yl-7H-purin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C16H17N5O/c22-12-6-4-5-11(9-12)14-19-15-13(17-10-18-15)16(20-14)21-7-2-1-3-8-21/h4-6,9-10,22H,1-3,7-8H2,(H,17,18,19,20)
InChIKeyHBKAYDPFQWXZQU-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.72
Rot. Bonds2

About 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol

3-(6-piperidin-1-yl-7H-purin-2-yl)phenol (PubChem CID 25070230) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol.

Molecular Properties

Compound Name3-(6-piperidin-1-yl-7H-purin-2-yl)phenol
PubChem CID25070230
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-(6-piperidin-1-yl-7H-purin-2-yl)phenol
SMILESOc1cccc(-c2nc(N3CCCCC3)c3[nH]cnc3n2)c1
InChIInChI=1S/C16H17N5O/c22-12-6-4-5-11(9-12)14-19-15-13(17-10-18-15)16(20-14)21-7-2-1-3-8-21/h4-6,9-10,22H,1-3,7-8H2,(H,17,18,19,20)
InChIKeyHBKAYDPFQWXZQU-UHFFFAOYSA-N
XLogP2.72
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol?
The IUPAC name of 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol (CID 25070230) is 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol.
What is the SMILES notation for 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol?
The canonical SMILES for 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol is Oc1cccc(-c2nc(N3CCCCC3)c3[nH]cnc3n2)c1.
What is the InChIKey of 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol?
The InChIKey is HBKAYDPFQWXZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-12-6-4-5-11(9-12)14-19-15-13(17-10-18-15)16(20-14)21-7-2-1-3-8-21/h4-6,9-10,22H,1-3,7-8H2,(H,17,18,19,20).
What are the key properties of 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol?
3-(6-piperidin-1-yl-7H-purin-2-yl)phenol has a molecular weight of 295.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-yl-7H-purin-2-yl)phenol is sourced from PubChem (CID 25070230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).