8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine

C17H17F3N6O — CID 56678630

IUPAC8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine
SMILESNc1ncnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)[nH]c12
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)16-24-13-14(21)22-9-23-15(13)25-16/h1-4,9-10H,5-8H2,(H3,21,22,23,24,25)
InChIKeyCJZNKOIMXMXMTI-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.00
Rot. Bonds3

About 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine

8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine (PubChem CID 56678630) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine
PubChem CID56678630
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine
SMILESNc1ncnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)[nH]c12
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)16-24-13-14(21)22-9-23-15(13)25-16/h1-4,9-10H,5-8H2,(H3,21,22,23,24,25)
InChIKeyCJZNKOIMXMXMTI-UHFFFAOYSA-N
XLogP3.00
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine?
The IUPAC name of 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine (CID 56678630) is 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine.
What is the SMILES notation for 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine?
The canonical SMILES for 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine is Nc1ncnc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)[nH]c12.
What is the InChIKey of 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine?
The InChIKey is CJZNKOIMXMXMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)11-3-1-2-4-12(11)27-10-5-7-26(8-6-10)16-24-13-14(21)22-9-23-15(13)25-16/h1-4,9-10H,5-8H2,(H3,21,22,23,24,25).
What are the key properties of 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine?
8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine has a molecular weight of 378.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purin-6-amine is sourced from PubChem (CID 56678630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).