2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine

C16H20FN3 — CID 114704684

IUPAC2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
SMILESCC(c1ccc(F)cc1)n1cncc1C1CCCCN1
InChIInChI=1S/C16H20FN3/c1-12(13-5-7-14(17)8-6-13)20-11-18-10-16(20)15-4-2-3-9-19-15/h5-8,10-12,15,19H,2-4,9H2,1H3
InChIKeyOWHQFEHONDCHOL-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.45
Rot. Bonds3

About 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine

2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114704684) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114704684
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
SMILESCC(c1ccc(F)cc1)n1cncc1C1CCCCN1
InChIInChI=1S/C16H20FN3/c1-12(13-5-7-14(17)8-6-13)20-11-18-10-16(20)15-4-2-3-9-19-15/h5-8,10-12,15,19H,2-4,9H2,1H3
InChIKeyOWHQFEHONDCHOL-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706687
1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942506
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705914
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
CID 106390497
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
2-(3-octan-4-ylimidazol-4-yl)piperidine
CID 106022201
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine (CID 114704684) is 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine is CC(c1ccc(F)cc1)n1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is OWHQFEHONDCHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-12(13-5-7-14(17)8-6-13)20-11-18-10-16(20)15-4-2-3-9-19-15/h5-8,10-12,15,19H,2-4,9H2,1H3.
What are the key properties of 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine?
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 273.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114704684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).