4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine

C15H18FN3 — CID 106996443

IUPAC4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine
SMILESCC1CC(n2cncc2-c2cccc(F)c2)CCN1
InChIInChI=1S/C15H18FN3/c1-11-7-14(5-6-18-11)19-10-17-9-15(19)12-3-2-4-13(16)8-12/h2-4,8-11,14,18H,5-7H2,1H3
InChIKeyVRFZXNHYWBOYDI-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.00
Rot. Bonds2

About 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine

4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine (PubChem CID 106996443) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine
PubChem CID106996443
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine
SMILESCC1CC(n2cncc2-c2cccc(F)c2)CCN1
InChIInChI=1S/C15H18FN3/c1-11-7-14(5-6-18-11)19-10-17-9-15(19)12-3-2-4-13(16)8-12/h2-4,8-11,14,18H,5-7H2,1H3
InChIKeyVRFZXNHYWBOYDI-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
CID 84739493
1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(3-methylphenyl)imidazole
CID 104874886
6-fluoro-1-(2-methylpiperidin-4-yl)-2,3-dihydroindole
CID 103496394
ethyl 3-(2-methylpiperidin-4-yl)imidazole-4-carboxylate
CID 106996431
4-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720118
5-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720108
2-methyl-3-[5-(2-methylphenyl)imidazol-1-yl]piperidine
CID 114695777
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
acetonitrile;fluorobenzene;5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
CID 145129274
3-(3-fluorophenyl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585728
2-amino-N-[3-(3-cyclopropylimidazol-4-yl)phenyl]prop-2-enamide
CID 166691105
(3R)-1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797761

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine?
The IUPAC name of 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine (CID 106996443) is 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine.
What is the SMILES notation for 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine?
The canonical SMILES for 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine is CC1CC(n2cncc2-c2cccc(F)c2)CCN1.
What is the InChIKey of 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine?
The InChIKey is VRFZXNHYWBOYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11-7-14(5-6-18-11)19-10-17-9-15(19)12-3-2-4-13(16)8-12/h2-4,8-11,14,18H,5-7H2,1H3.
What are the key properties of 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine?
4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine has a molecular weight of 259.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine is sourced from PubChem (CID 106996443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).