[1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol

C21H26FNO4S — CID 42303614

IUPAC[1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(CO)(CCOc2ccccc2)CC1
InChIInChI=1S/C21H26FNO4S/c1-17-7-8-18(22)15-20(17)28(25,26)23-12-9-21(16-24,10-13-23)11-14-27-19-5-3-2-4-6-19/h2-8,15,24H,9-14,16H2,1H3
InChIKeyPFIMXJCOGXHDCV-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.37
Rot. Bonds7

About [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol

[1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol (PubChem CID 42303614) has the molecular formula C21H26FNO4S and a molecular weight of 407.51 g/mol. Its IUPAC name is [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol
PubChem CID42303614
Molecular FormulaC21H26FNO4S
Molecular Weight407.51 g/mol
Exact Mass407.16
IUPAC Name[1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(CO)(CCOc2ccccc2)CC1
InChIInChI=1S/C21H26FNO4S/c1-17-7-8-18(22)15-20(17)28(25,26)23-12-9-21(16-24,10-13-23)11-14-27-19-5-3-2-4-6-19/h2-8,15,24H,9-14,16H2,1H3
InChIKeyPFIMXJCOGXHDCV-UHFFFAOYSA-N
XLogP3.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol (CID 42303614) is [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol is Cc1ccc(F)cc1S(=O)(=O)N1CCC(CO)(CCOc2ccccc2)CC1.
What is the InChIKey of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The InChIKey is PFIMXJCOGXHDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO4S/c1-17-7-8-18(22)15-20(17)28(25,26)23-12-9-21(16-24,10-13-23)11-14-27-19-5-3-2-4-6-19/h2-8,15,24H,9-14,16H2,1H3.
What are the key properties of [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol has a molecular weight of 407.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methylphenyl)sulfonyl-4-(2-phenoxyethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 42303614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).