2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine

C11H14F3N3 — CID 71263345

IUPAC2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCN1CCC(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c1-17-4-2-8(3-5-17)10-15-6-9(7-16-10)11(12,13)14/h6-8H,2-5H2,1H3
InChIKeyTVMDEVNXAXDUAS-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.30
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine

2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 71263345) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID71263345
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine
SMILESCN1CCC(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c1-17-4-2-8(3-5-17)10-15-6-9(7-16-10)11(12,13)14/h6-8H,2-5H2,1H3
InChIKeyTVMDEVNXAXDUAS-UHFFFAOYSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine (CID 71263345) is 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine is CN1CCC(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is TVMDEVNXAXDUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-17-4-2-8(3-5-17)10-15-6-9(7-16-10)11(12,13)14/h6-8H,2-5H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine?
2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 71263345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).