4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

C10H18F3NO3S — CID 58450234

IUPAC4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C(F)(F)F)C1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18F3NO3S/c1-9(8(17-2)10(11,12)13)4-6-14(7-5-9)18(3,15)16/h8H,4-7H2,1-3H3
InChIKeyCOQZFRBBLFSCDW-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.63
Rot. Bonds3

About 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine

4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (PubChem CID 58450234) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
PubChem CID58450234
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
SMILESCOC(C(F)(F)F)C1(C)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H18F3NO3S/c1-9(8(17-2)10(11,12)13)4-6-14(7-5-9)18(3,15)16/h8H,4-7H2,1-3H3
InChIKeyCOQZFRBBLFSCDW-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The IUPAC name of 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine (CID 58450234) is 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine.
What is the SMILES notation for 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The canonical SMILES for 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is COC(C(F)(F)F)C1(C)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
The InChIKey is COQZFRBBLFSCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-9(8(17-2)10(11,12)13)4-6-14(7-5-9)18(3,15)16/h8H,4-7H2,1-3H3.
What are the key properties of 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine?
4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine has a molecular weight of 289.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine is sourced from PubChem (CID 58450234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).