4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine

C11H14F3N3 — CID 110269859

IUPAC4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine
SMILESCN1CCCC(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C11H14F3N3/c1-17-4-2-3-8(6-17)9-5-10(11(12,13)14)16-7-15-9/h5,7-8H,2-4,6H2,1H3
InChIKeyIOQFPVIGOZALAO-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.30
Rot. Bonds1

About 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine

4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 110269859) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID110269859
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine
SMILESCN1CCCC(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C11H14F3N3/c1-17-4-2-3-8(6-17)9-5-10(11(12,13)14)16-7-15-9/h5,7-8H,2-4,6H2,1H3
InChIKeyIOQFPVIGOZALAO-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 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine (CID 110269859) is 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine is CN1CCCC(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is IOQFPVIGOZALAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-17-4-2-3-8(6-17)9-5-10(11(12,13)14)16-7-15-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine?
4-(1-methylpiperidin-3-yl)-6-(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 4-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 110269859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).