2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine

C12H18F3N3 — CID 114707003

IUPAC2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
SMILESFC(F)(F)CCCn1cncc1C1CCCCN1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)5-3-7-18-9-16-8-11(18)10-4-1-2-6-17-10/h8-10,17H,1-7H2
InChIKeyRXLAFQOKRVGWMO-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.04
Rot. Bonds4

About 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine

2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine (PubChem CID 114707003) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
PubChem CID114707003
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
SMILESFC(F)(F)CCCn1cncc1C1CCCCN1
InChIInChI=1S/C12H18F3N3/c13-12(14,15)5-3-7-18-9-16-8-11(18)10-4-1-2-6-17-10/h8-10,17H,1-7H2
InChIKeyRXLAFQOKRVGWMO-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine (CID 114707003) is 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine is FC(F)(F)CCCn1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine?
The InChIKey is RXLAFQOKRVGWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c13-12(14,15)5-3-7-18-9-16-8-11(18)10-4-1-2-6-17-10/h8-10,17H,1-7H2.
What are the key properties of 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine?
2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine has a molecular weight of 261.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114707003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).