2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine

C16H18N6O — CID 167752337

IUPAC2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
SMILESNc1nc(N2CCCC(Oc3ccccc3)C2)nc2nc[nH]c12
InChIInChI=1S/C16H18N6O/c17-14-13-15(19-10-18-13)21-16(20-14)22-8-4-7-12(9-22)23-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H3,17,18,19,20,21)
InChIKeyWXPVWIDYWZLPCT-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.98
Rot. Bonds3

About 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine

2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine (PubChem CID 167752337) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
PubChem CID167752337
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
SMILESNc1nc(N2CCCC(Oc3ccccc3)C2)nc2nc[nH]c12
InChIInChI=1S/C16H18N6O/c17-14-13-15(19-10-18-13)21-16(20-14)22-8-4-7-12(9-22)23-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H3,17,18,19,20,21)
InChIKeyWXPVWIDYWZLPCT-UHFFFAOYSA-N
XLogP1.98
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine?
The IUPAC name of 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine (CID 167752337) is 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine.
What is the SMILES notation for 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine?
The canonical SMILES for 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine is Nc1nc(N2CCCC(Oc3ccccc3)C2)nc2nc[nH]c12.
What is the InChIKey of 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine?
The InChIKey is WXPVWIDYWZLPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c17-14-13-15(19-10-18-13)21-16(20-14)22-8-4-7-12(9-22)23-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H3,17,18,19,20,21).
What are the key properties of 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine?
2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine has a molecular weight of 310.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine is sourced from PubChem (CID 167752337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).