4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

C11H14F3N3 — CID 118233174

IUPAC4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H14F3N3/c1-8-6-10(16-7-15-8)17-4-2-9(3-5-17)11(12,13)14/h6-7,9H,2-5H2,1H3
InChIKeyWIYUGRAQZOTXCR-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.56
Rot. Bonds1

About 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 118233174) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID118233174
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)ncn1
InChIInChI=1S/C11H14F3N3/c1-8-6-10(16-7-15-8)17-4-2-9(3-5-17)11(12,13)14/h6-7,9H,2-5H2,1H3
InChIKeyWIYUGRAQZOTXCR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 118233174) is 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is Cc1cc(N2CCC(C(F)(F)F)CC2)ncn1.
What is the InChIKey of 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is WIYUGRAQZOTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-8-6-10(16-7-15-8)17-4-2-9(3-5-17)11(12,13)14/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 118233174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).