(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol

C8H17NO3S — CID 58959839

IUPAC(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
SMILESCC1(CO)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO3S/c1-8(7-10)3-5-9(6-4-8)13(2,11)12/h10H,3-7H2,1-2H3
InChIKeyFHAJOCDKTRJXSM-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.04
Rot. Bonds2

About (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol

(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol (PubChem CID 58959839) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
PubChem CID58959839
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
SMILESCC1(CO)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C8H17NO3S/c1-8(7-10)3-5-9(6-4-8)13(2,11)12/h10H,3-7H2,1-2H3
InChIKeyFHAJOCDKTRJXSM-UHFFFAOYSA-N
XLogP0.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol?
The IUPAC name of (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol (CID 58959839) is (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol.
What is the SMILES notation for (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol?
The canonical SMILES for (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol is CC1(CO)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol?
The InChIKey is FHAJOCDKTRJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(7-10)3-5-9(6-4-8)13(2,11)12/h10H,3-7H2,1-2H3.
What are the key properties of (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol?
(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol has a molecular weight of 207.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-methylsulfonylpiperidin-4-yl)methanol is sourced from PubChem (CID 58959839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).