1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine

C11H16F3N3 — CID 118303240

IUPAC1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCN1CCC(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C11H16F3N3/c1-16-5-3-8(4-6-16)10-15-9(7-17(10)2)11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyMJISUPIHYYNFBL-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.25
Rot. Bonds1

About 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine

1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (PubChem CID 118303240) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
PubChem CID118303240
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCN1CCC(c2nc(C(F)(F)F)cn2C)CC1
InChIInChI=1S/C11H16F3N3/c1-16-5-3-8(4-6-16)10-15-9(7-17(10)2)11(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyMJISUPIHYYNFBL-UHFFFAOYSA-N
XLogP2.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The IUPAC name of 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (CID 118303240) is 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is CN1CCC(c2nc(C(F)(F)F)cn2C)CC1.
What is the InChIKey of 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The InChIKey is MJISUPIHYYNFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-16-5-3-8(4-6-16)10-15-9(7-17(10)2)11(12,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine has a molecular weight of 247.26 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 118303240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).