2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine

C17H16F3N5O — CID 24855892

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13/h1-4,9-11H,5-8H2,(H,21,22,23,24)
InChIKeyYHSOKGLZUGZMOD-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.42
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine (PubChem CID 24855892) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine
PubChem CID24855892
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1
InChIInChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13/h1-4,9-11H,5-8H2,(H,21,22,23,24)
InChIKeyYHSOKGLZUGZMOD-UHFFFAOYSA-N
XLogP3.42
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine (CID 24855892) is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine is FC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine?
The InChIKey is YHSOKGLZUGZMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c18-17(19,20)12-3-1-2-4-14(12)26-11-5-7-25(8-6-11)16-21-9-13-15(24-16)23-10-22-13/h1-4,9-11H,5-8H2,(H,21,22,23,24).
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine?
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine has a molecular weight of 363.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-7H-purine is sourced from PubChem (CID 24855892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).