4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine

C26H35FN2O2S — CID 138627958

IUPAC4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(Cc4ccc(F)cc4)CC3)CC2)c(C)c1
InChIInChI=1S/C26H35FN2O2S/c1-19-16-20(2)26(21(3)17-19)32(30,31)29-14-10-25(11-15-29)28-12-8-23(9-13-28)18-22-4-6-24(27)7-5-22/h4-7,16-17,23,25H,8-15,18H2,1-3H3
InChIKeyVDHWMHFGZFBLIS-UHFFFAOYSA-N
MW458.64 g/mol
LogP4.86
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine

4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 138627958) has the molecular formula C26H35FN2O2S and a molecular weight of 458.64 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
PubChem CID138627958
Molecular FormulaC26H35FN2O2S
Molecular Weight458.64 g/mol
Exact Mass458.24
IUPAC Name4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(Cc4ccc(F)cc4)CC3)CC2)c(C)c1
InChIInChI=1S/C26H35FN2O2S/c1-19-16-20(2)26(21(3)17-19)32(30,31)29-14-10-25(11-15-29)28-12-8-23(9-13-28)18-22-4-6-24(27)7-5-22/h4-7,16-17,23,25H,8-15,18H2,1-3H3
InChIKeyVDHWMHFGZFBLIS-UHFFFAOYSA-N
XLogP4.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.64
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-Adamantanyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
CID 4025879
[2-(3-Fluorophenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479858
Methyl{4-(4-phenylpiperidyl)-2-[3-(trifluoromethyl)phenyl]butyl}(phenylsulfonyl)amine
CID 479860
[2-(4-Fluoro-3-methylphenyl)-4-(4-phenylpiperidyl)butyl]methyl(phenylsulfonyl)amine
CID 479872
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]azepane
CID 118308375
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine (CID 138627958) is 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(Cc4ccc(F)cc4)CC3)CC2)c(C)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is VDHWMHFGZFBLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN2O2S/c1-19-16-20(2)26(21(3)17-19)32(30,31)29-14-10-25(11-15-29)28-12-8-23(9-13-28)18-22-4-6-24(27)7-5-22/h4-7,16-17,23,25H,8-15,18H2,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine?
4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 458.64 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 138627958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).