4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine

C15H18FN3O2S — CID 155674763

IUPAC4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-14(7-9-19)18-10-15(17-11-18)12-2-4-13(16)5-3-12/h2-5,10-11,14H,6-9H2,1H3
InChIKeySAOQUUWWTCMZJY-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.29
Rot. Bonds3

About 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine

4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine (PubChem CID 155674763) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine
PubChem CID155674763
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-14(7-9-19)18-10-15(17-11-18)12-2-4-13(16)5-3-12/h2-5,10-11,14H,6-9H2,1H3
InChIKeySAOQUUWWTCMZJY-UHFFFAOYSA-N
XLogP2.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
CID 175254745
3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 141298114
2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141298129
(3R)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-methylsulfonylpiperidine
CID 95107377
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
5-bromo-2-(4-fluorophenyl)-4-(1-methylsulfonylpiperidin-4-yl)-1,3-oxazole
CID 91664465
4-[2-(4-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 175818915
4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine
CID 53006604
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90547452
3-(4-bromophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 37287270
4-cyclopropyl-1-[1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121190809
6-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051551

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine?
The IUPAC name of 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine (CID 155674763) is 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine?
The InChIKey is SAOQUUWWTCMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-22(20,21)19-8-6-14(7-9-19)18-10-15(17-11-18)12-2-4-13(16)5-3-12/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine?
4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine has a molecular weight of 323.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)imidazol-1-yl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 155674763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).