1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine

C15H17F2N3O2S — CID 133301034

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine
SMILESO=S(=O)(c1ccc(N2CCC(n3ccnc3)CC2)cc1)C(F)F
InChIInChI=1S/C15H17F2N3O2S/c16-15(17)23(21,22)14-3-1-12(2-4-14)19-8-5-13(6-9-19)20-10-7-18-11-20/h1-4,7,10-11,13,15H,5-6,8-9H2
InChIKeyHOLODJVGCFHOKT-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine

1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine (PubChem CID 133301034) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine
PubChem CID133301034
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine
SMILESO=S(=O)(c1ccc(N2CCC(n3ccnc3)CC2)cc1)C(F)F
InChIInChI=1S/C15H17F2N3O2S/c16-15(17)23(21,22)14-3-1-12(2-4-14)19-8-5-13(6-9-19)20-10-7-18-11-20/h1-4,7,10-11,13,15H,5-6,8-9H2
InChIKeyHOLODJVGCFHOKT-UHFFFAOYSA-N
XLogP2.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline
CID 123713425
[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]methanol
CID 47054198
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-2-ethylbenzimidazole
CID 133445355
2-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-1H-indole
CID 56799944
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine
CID 63852993
1-[1-[4-(difluoromethylsulfonyl)phenyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267403
1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921499
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one
CID 133314231
N-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-4-fluorobenzamide
CID 47053580
1-[4-(difluoromethylsulfonyl)phenyl]-3-ethoxypiperidine
CID 133274305
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine (CID 133301034) is 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine is O=S(=O)(c1ccc(N2CCC(n3ccnc3)CC2)cc1)C(F)F.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine?
The InChIKey is HOLODJVGCFHOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c16-15(17)23(21,22)14-3-1-12(2-4-14)19-8-5-13(6-9-19)20-10-7-18-11-20/h1-4,7,10-11,13,15H,5-6,8-9H2.
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine?
1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine has a molecular weight of 341.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-4-imidazol-1-ylpiperidine is sourced from PubChem (CID 133301034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).