4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine

C17H22FN3 — CID 114706757

IUPAC4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine
SMILESCc1cc(Cn2cncc2C2CCNCC2)cc(C)c1F
InChIInChI=1S/C17H22FN3/c1-12-7-14(8-13(2)17(12)18)10-21-11-20-9-16(21)15-3-5-19-6-4-15/h7-9,11,15,19H,3-6,10H2,1-2H3
InChIKeyUKEMWFFHVKFILD-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.15
Rot. Bonds3

About 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine

4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine (PubChem CID 114706757) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine
PubChem CID114706757
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine
SMILESCc1cc(Cn2cncc2C2CCNCC2)cc(C)c1F
InChIInChI=1S/C17H22FN3/c1-12-7-14(8-13(2)17(12)18)10-21-11-20-9-16(21)15-3-5-19-6-4-15/h7-9,11,15,19H,3-6,10H2,1-2H3
InChIKeyUKEMWFFHVKFILD-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377569
5-pyrrolidin-3-yl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 114716457
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
CID 114720616
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
5-cyclopropyl-1-[(2,4-dimethylphenyl)methyl]imidazole
CID 116811663
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine (CID 114706757) is 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine is Cc1cc(Cn2cncc2C2CCNCC2)cc(C)c1F.
What is the InChIKey of 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine?
The InChIKey is UKEMWFFHVKFILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-12-7-14(8-13(2)17(12)18)10-21-11-20-9-16(21)15-3-5-19-6-4-15/h7-9,11,15,19H,3-6,10H2,1-2H3.
What are the key properties of 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine?
4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine has a molecular weight of 287.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114706757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).