1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine

C16H20FN3O2S — CID 90493928

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H20FN3O2S/c17-16-3-1-15(2-4-16)12-23(21,22)20-8-5-14(6-9-20)11-19-10-7-18-13-19/h1-4,7,10,13-14H,5-6,8-9,11-12H2
InChIKeyQKQYFUUULIZBAI-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.26
Rot. Bonds5

About 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine

1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine (PubChem CID 90493928) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
PubChem CID90493928
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C16H20FN3O2S/c17-16-3-1-15(2-4-16)12-23(21,22)20-8-5-14(6-9-20)11-19-10-7-18-13-19/h1-4,7,10,13-14H,5-6,8-9,11-12H2
InChIKeyQKQYFUUULIZBAI-UHFFFAOYSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 71781160
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine
CID 90495604
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493901
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493771
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
1-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylethyl]piperidine-2,6-dione
CID 90493899
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493930
4-(imidazol-1-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 71781099
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
CID 155801188
4-(imidazol-1-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 90493883

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine (CID 90493928) is 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine is O=S(=O)(Cc1ccc(F)cc1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
The InChIKey is QKQYFUUULIZBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c17-16-3-1-15(2-4-16)12-23(21,22)20-8-5-14(6-9-20)11-19-10-7-18-13-19/h1-4,7,10,13-14H,5-6,8-9,11-12H2.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine?
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine has a molecular weight of 337.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90493928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).