2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine

C16H20FN3O — CID 114841259

IUPAC2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine
SMILESCOc1cc(-n2cncc2C2CCCC(C)N2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-11-4-3-5-14(19-11)15-9-18-10-20(15)12-6-7-13(17)16(8-12)21-2/h6-11,14,19H,3-5H2,1-2H3
InChIKeyKBNZUUITGPASBQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.22
Rot. Bonds3

About 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine

2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine (PubChem CID 114841259) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine
PubChem CID114841259
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine
SMILESCOc1cc(-n2cncc2C2CCCC(C)N2)ccc1F
InChIInChI=1S/C16H20FN3O/c1-11-4-3-5-14(19-11)15-9-18-10-20(15)12-6-7-13(17)16(8-12)21-2/h6-11,14,19H,3-5H2,1-2H3
InChIKeyKBNZUUITGPASBQ-UHFFFAOYSA-N
XLogP3.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107371278
2-[3-(1-benzothiophen-5-yl)imidazol-4-yl]-6-methylpiperidine
CID 114720722
2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
CID 114717939
2-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]piperidine
CID 114706296
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
1-(4-ethoxy-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943687
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-[3-(4-bromo-2,3-dichlorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107795764
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
2-methyl-6-[3-(2-propylphenyl)imidazol-4-yl]piperidine
CID 114719236
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493
2-methoxy-5-(5-piperidin-2-ylimidazol-1-yl)pyridine
CID 114702661

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine (CID 114841259) is 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine is COc1cc(-n2cncc2C2CCCC(C)N2)ccc1F.
What is the InChIKey of 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine?
The InChIKey is KBNZUUITGPASBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11-4-3-5-14(19-11)15-9-18-10-20(15)12-6-7-13(17)16(8-12)21-2/h6-11,14,19H,3-5H2,1-2H3.
What are the key properties of 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine?
2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine has a molecular weight of 289.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methoxyphenyl)imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 114841259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).