4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine

C10H12F3N3 — CID 57355761

IUPAC4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(C2CCNCC2)n1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-15-6-3-8(16-9)7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2
InChIKeyVJAVRDKFWUNMGW-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.96
Rot. Bonds1

About 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine

4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 57355761) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine
PubChem CID57355761
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(C2CCNCC2)n1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-15-6-3-8(16-9)7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2
InChIKeyVJAVRDKFWUNMGW-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine (CID 57355761) is 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(C2CCNCC2)n1.
What is the InChIKey of 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is VJAVRDKFWUNMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-15-6-3-8(16-9)7-1-4-14-5-2-7/h3,6-7,14H,1-2,4-5H2.
What are the key properties of 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine?
4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 231.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 57355761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).