[1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol

C15H20FNO3S — CID 72850879

IUPAC[1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO3S/c1-2-7-15(12-18)8-4-9-17(11-15)21(19,20)14-6-3-5-13(16)10-14/h2-3,5-6,10,18H,1,4,7-9,11-12H2
InChIKeyGZQQCWQGFFSRKV-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.16
Rot. Bonds5

About [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol

[1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 72850879) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID72850879
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name[1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H20FNO3S/c1-2-7-15(12-18)8-4-9-17(11-15)21(19,20)14-6-3-5-13(16)10-14/h2-3,5-6,10,18H,1,4,7-9,11-12H2
InChIKeyGZQQCWQGFFSRKV-UHFFFAOYSA-N
XLogP2.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol (CID 72850879) is [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(S(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is GZQQCWQGFFSRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-2-7-15(12-18)8-4-9-17(11-15)21(19,20)14-6-3-5-13(16)10-14/h2-3,5-6,10,18H,1,4,7-9,11-12H2.
What are the key properties of [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol?
[1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 313.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonyl-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 72850879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).