4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine

C14H14F3N3 — CID 82559295

IUPAC4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
SMILESFc1ccc(-c2nccn2C2CCNCC2)c(F)c1F
InChIInChI=1S/C14H14F3N3/c15-11-2-1-10(12(16)13(11)17)14-19-7-8-20(14)9-3-5-18-6-4-9/h1-2,7-9,18H,3-6H2
InChIKeyHJVVZNTWSOJARP-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.89
Rot. Bonds2

About 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine

4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine (PubChem CID 82559295) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
PubChem CID82559295
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
SMILESFc1ccc(-c2nccn2C2CCNCC2)c(F)c1F
InChIInChI=1S/C14H14F3N3/c15-11-2-1-10(12(16)13(11)17)14-19-7-8-20(14)9-3-5-18-6-4-9/h1-2,7-9,18H,3-6H2
InChIKeyHJVVZNTWSOJARP-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669
4-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 131883405
4-(2-naphthalen-2-ylimidazol-1-yl)piperidine
CID 68729306
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine
CID 146039198
4-[2-[(2,4-difluorophenyl)methyl]imidazol-1-yl]piperidine
CID 82558361
4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154821323
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride
CID 154920497
2-(4-fluoro-2-methylphenyl)-1-(4-methoxycyclohexyl)imidazole
CID 165426417

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine?
The IUPAC name of 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine (CID 82559295) is 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine.
What is the SMILES notation for 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine?
The canonical SMILES for 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine is Fc1ccc(-c2nccn2C2CCNCC2)c(F)c1F.
What is the InChIKey of 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine?
The InChIKey is HJVVZNTWSOJARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-11-2-1-10(12(16)13(11)17)14-19-7-8-20(14)9-3-5-18-6-4-9/h1-2,7-9,18H,3-6H2.
What are the key properties of 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine?
4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine has a molecular weight of 281.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine is sourced from PubChem (CID 82559295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).