4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine

C15H22FNO3S — CID 107326940

IUPAC4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
SMILESCCOC1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)CC1
InChIInChI=1S/C15H22FNO3S/c1-4-20-14-5-7-17(8-6-14)21(18,19)15-11(2)9-13(16)10-12(15)3/h9-10,14H,4-8H2,1-3H3
InChIKeyRFUWBURFMLXUEA-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.63
Rot. Bonds4

About 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine

4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine (PubChem CID 107326940) has the molecular formula C15H22FNO3S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
PubChem CID107326940
Molecular FormulaC15H22FNO3S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine
SMILESCCOC1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)CC1
InChIInChI=1S/C15H22FNO3S/c1-4-20-14-5-7-17(8-6-14)21(18,19)15-11(2)9-13(16)10-12(15)3/h9-10,14H,4-8H2,1-3H3
InChIKeyRFUWBURFMLXUEA-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 120712446
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
2-(4-ethoxypiperidin-1-yl)sulfonyl-3,4-dimethylaniline
CID 61219942
1-(2-bromo-4-fluorophenyl)sulfonyl-4-ethoxypiperidine
CID 61217396
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
3,5-dibromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219950
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992733
3-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992630
3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
1-ethyl-4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-2-methylpiperazine
CID 107327150

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine (CID 107326940) is 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine is CCOC1CCN(S(=O)(=O)c2c(C)cc(F)cc2C)CC1.
What is the InChIKey of 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine?
The InChIKey is RFUWBURFMLXUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S/c1-4-20-14-5-7-17(8-6-14)21(18,19)15-11(2)9-13(16)10-12(15)3/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine?
4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine has a molecular weight of 315.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 107326940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).