4-[4-(trifluoromethyl)piperidin-1-yl]pteridine

C12H12F3N5 — CID 175987024

IUPAC4-[4-(trifluoromethyl)piperidin-1-yl]pteridine
SMILESFC(F)(F)C1CCN(c2ncnc3nccnc23)CC1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)8-1-5-20(6-2-8)11-9-10(18-7-19-11)17-4-3-16-9/h3-4,7-8H,1-2,5-6H2
InChIKeyYDCJJOCMDJLVLH-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.20
Rot. Bonds1

About 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine

4-[4-(trifluoromethyl)piperidin-1-yl]pteridine (PubChem CID 175987024) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)piperidin-1-yl]pteridine
PubChem CID175987024
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name4-[4-(trifluoromethyl)piperidin-1-yl]pteridine
SMILESFC(F)(F)C1CCN(c2ncnc3nccnc23)CC1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)8-1-5-20(6-2-8)11-9-10(18-7-19-11)17-4-3-16-9/h3-4,7-8H,1-2,5-6H2
InChIKeyYDCJJOCMDJLVLH-UHFFFAOYSA-N
XLogP2.20
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine?
The IUPAC name of 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine (CID 175987024) is 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine.
What is the SMILES notation for 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine?
The canonical SMILES for 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine is FC(F)(F)C1CCN(c2ncnc3nccnc23)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine?
The InChIKey is YDCJJOCMDJLVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-12(14,15)8-1-5-20(6-2-8)11-9-10(18-7-19-11)17-4-3-16-9/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine?
4-[4-(trifluoromethyl)piperidin-1-yl]pteridine has a molecular weight of 283.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)piperidin-1-yl]pteridine is sourced from PubChem (CID 175987024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).