4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine

C17H27F3N4 — CID 86666584

IUPAC4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine
SMILESFC(F)(F)CCc1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C17H27F3N4/c18-17(19,20)6-3-15-13-24(12-11-23-9-1-2-10-23)16(22-15)14-4-7-21-8-5-14/h13-14,21H,1-12H2
InChIKeyOYLIEGLHZZLSFR-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.94
Rot. Bonds6

About 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine

4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine (PubChem CID 86666584) has the molecular formula C17H27F3N4 and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine
PubChem CID86666584
Molecular FormulaC17H27F3N4
Molecular Weight344.43 g/mol
Exact Mass344.22
IUPAC Name4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine
SMILESFC(F)(F)CCc1cn(CCN2CCCC2)c(C2CCNCC2)n1
InChIInChI=1S/C17H27F3N4/c18-17(19,20)6-3-15-13-24(12-11-23-9-1-2-10-23)16(22-15)14-4-7-21-8-5-14/h13-14,21H,1-12H2
InChIKeyOYLIEGLHZZLSFR-UHFFFAOYSA-N
XLogP2.94
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.94
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-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine?
The IUPAC name of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine (CID 86666584) is 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine?
The canonical SMILES for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine is FC(F)(F)CCc1cn(CCN2CCCC2)c(C2CCNCC2)n1.
What is the InChIKey of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine?
The InChIKey is OYLIEGLHZZLSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N4/c18-17(19,20)6-3-15-13-24(12-11-23-9-1-2-10-23)16(22-15)14-4-7-21-8-5-14/h13-14,21H,1-12H2.
What are the key properties of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine?
4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine has a molecular weight of 344.43 g/mol, XLogP of 2.94, 6 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-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 86666584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).