(3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol

C7H14FNO3S — CID 131020402

IUPAC(3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol
SMILESCS(=O)(=O)N1CCCC(F)(CO)C1
InChIInChI=1S/C7H14FNO3S/c1-13(11,12)9-4-2-3-7(8,5-9)6-10/h10H,2-6H2,1H3
InChIKeyBFHLLLBNOPEIIR-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.26
Rot. Bonds2

About (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol

(3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol (PubChem CID 131020402) has the molecular formula C7H14FNO3S and a molecular weight of 211.26 g/mol. Its IUPAC name is (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol
PubChem CID131020402
Molecular FormulaC7H14FNO3S
Molecular Weight211.26 g/mol
Exact Mass211.07
IUPAC Name(3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol
SMILESCS(=O)(=O)N1CCCC(F)(CO)C1
InChIInChI=1S/C7H14FNO3S/c1-13(11,12)9-4-2-3-7(8,5-9)6-10/h10H,2-6H2,1H3
InChIKeyBFHLLLBNOPEIIR-UHFFFAOYSA-N
XLogP-0.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol?
The IUPAC name of (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol (CID 131020402) is (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol.
What is the SMILES notation for (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol?
The canonical SMILES for (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol is CS(=O)(=O)N1CCCC(F)(CO)C1.
What is the InChIKey of (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol?
The InChIKey is BFHLLLBNOPEIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3S/c1-13(11,12)9-4-2-3-7(8,5-9)6-10/h10H,2-6H2,1H3.
What are the key properties of (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol?
(3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol has a molecular weight of 211.26 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-methylsulfonylpiperidin-3-yl)methanol is sourced from PubChem (CID 131020402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).