[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol

C14H20FNO3S — CID 79186814

IUPAC[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
SMILESCC1CCCN(S(=O)(=O)c2ccc(CO)cc2F)C1C
InChIInChI=1S/C14H20FNO3S/c1-10-4-3-7-16(11(10)2)20(18,19)14-6-5-12(9-17)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyWKFISFUQQOIDRG-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.13
Rot. Bonds3

About [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol

[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol (PubChem CID 79186814) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
PubChem CID79186814
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol
SMILESCC1CCCN(S(=O)(=O)c2ccc(CO)cc2F)C1C
InChIInChI=1S/C14H20FNO3S/c1-10-4-3-7-16(11(10)2)20(18,19)14-6-5-12(9-17)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyWKFISFUQQOIDRG-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
The IUPAC name of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol (CID 79186814) is [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
The canonical SMILES for [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol is CC1CCCN(S(=O)(=O)c2ccc(CO)cc2F)C1C.
What is the InChIKey of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
The InChIKey is WKFISFUQQOIDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-4-3-7-16(11(10)2)20(18,19)14-6-5-12(9-17)8-13(14)15/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3.
What are the key properties of [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol?
[4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol has a molecular weight of 301.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanol is sourced from PubChem (CID 79186814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).