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

C17H22FN3 — CID 114706687

IUPAC2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccc(C(C)n2cncc2C2CCCCN2)cc1F
InChIInChI=1S/C17H22FN3/c1-12-6-7-14(9-15(12)18)13(2)21-11-19-10-17(21)16-5-3-4-8-20-16/h6-7,9-11,13,16,20H,3-5,8H2,1-2H3
InChIKeyGKQZQAJFMGCGIR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.75
Rot. Bonds3

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

2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114706687) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114706687
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccc(C(C)n2cncc2C2CCCCN2)cc1F
InChIInChI=1S/C17H22FN3/c1-12-6-7-14(9-15(12)18)13(2)21-11-19-10-17(21)16-5-3-4-8-20-16/h6-7,9-11,13,16,20H,3-5,8H2,1-2H3
InChIKeyGKQZQAJFMGCGIR-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
2-[3-(5-fluoro-2-methylphenyl)imidazol-4-yl]piperidine
CID 114703289
1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942506
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708364
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559
5-methyl-2-[1-(5-pyrrolidin-2-ylimidazol-1-yl)ethyl]-1,3-oxazole
CID 106390497
2-[3-(1-phenylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705914
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
CID 114702951
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine (CID 114706687) is 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine is Cc1ccc(C(C)n2cncc2C2CCCCN2)cc1F.
What is the InChIKey of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is GKQZQAJFMGCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-12-6-7-14(9-15(12)18)13(2)21-11-19-10-17(21)16-5-3-4-8-20-16/h6-7,9-11,13,16,20H,3-5,8H2,1-2H3.
What are the key properties of 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine?
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 287.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114706687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).