1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine

C19H26FN3O2S — CID 91923919

IUPAC1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(Cc2ncc(C)n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O2S/c1-3-26(24,25)22-10-4-5-17(13-22)11-19-21-12-15(2)23(19)14-16-6-8-18(20)9-7-16/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3
InChIKeyNUYFDTMLAGQEHL-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.98
Rot. Bonds6

About 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine

1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine (PubChem CID 91923919) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
PubChem CID91923919
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC Name1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(Cc2ncc(C)n2Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O2S/c1-3-26(24,25)22-10-4-5-17(13-22)11-19-21-12-15(2)23(19)14-16-6-8-18(20)9-7-16/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3
InChIKeyNUYFDTMLAGQEHL-UHFFFAOYSA-N
XLogP2.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The IUPAC name of 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine (CID 91923919) is 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The canonical SMILES for 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine is CCS(=O)(=O)N1CCCC(Cc2ncc(C)n2Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The InChIKey is NUYFDTMLAGQEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c1-3-26(24,25)22-10-4-5-17(13-22)11-19-21-12-15(2)23(19)14-16-6-8-18(20)9-7-16/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine has a molecular weight of 379.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 91923919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).