1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine

C15H22FNO2S — CID 118309403

IUPAC1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESCC(C)(C)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2S/c1-15(2,3)17-10-8-14(9-11-17)20(18,19)13-6-4-12(16)5-7-13/h4-7,14H,8-11H2,1-3H3
InChIKeyGSOSDKJKIVGADA-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.86
Rot. Bonds2

About 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine

1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 118309403) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID118309403
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine
SMILESCC(C)(C)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO2S/c1-15(2,3)17-10-8-14(9-11-17)20(18,19)13-6-4-12(16)5-7-13/h4-7,14H,8-11H2,1-3H3
InChIKeyGSOSDKJKIVGADA-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine (CID 118309403) is 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine is CC(C)(C)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is GSOSDKJKIVGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-15(2,3)17-10-8-14(9-11-17)20(18,19)13-6-4-12(16)5-7-13/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine?
1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 299.41 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 118309403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).