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

C15H23F3N4 — CID 67113455

IUPAC4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESFC(F)(F)c1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C15H23F3N4/c16-15(17,18)13-11-22(10-9-21-7-1-2-8-21)14(20-13)12-3-5-19-6-4-12/h11-12,19H,1-10H2
InChIKeyYWXICKQDFGYRJN-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.46
Rot. Bonds4

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

4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine (PubChem CID 67113455) has the molecular formula C15H23F3N4 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine
PubChem CID67113455
Molecular FormulaC15H23F3N4
Molecular Weight316.37 g/mol
Exact Mass316.19
IUPAC Name4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESFC(F)(F)c1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C15H23F3N4/c16-15(17,18)13-11-22(10-9-21-7-1-2-8-21)14(20-13)12-3-5-19-6-4-12/h11-12,19H,1-10H2
InChIKeyYWXICKQDFGYRJN-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine (CID 67113455) is 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine is FC(F)(F)c1cn(CCN2CCCC2)c(C2CCNCC2)n1.
What is the InChIKey of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The InChIKey is YWXICKQDFGYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4/c16-15(17,18)13-11-22(10-9-21-7-1-2-8-21)14(20-13)12-3-5-19-6-4-12/h11-12,19H,1-10H2.
What are the key properties of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine?
4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine has a molecular weight of 316.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 67113455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).