4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine

C12H25NO3S — CID 58365068

IUPAC4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine
SMILESCC(C)(C)OC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)16-11-5-7-13(8-6-11)9-10-17(4,14)15/h11H,5-10H2,1-4H3
InChIKeyXHEZFAGSMLGYAG-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.31
Rot. Bonds4

About 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine

4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine (PubChem CID 58365068) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine
PubChem CID58365068
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine
SMILESCC(C)(C)OC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-12(2,3)16-11-5-7-13(8-6-11)9-10-17(4,14)15/h11H,5-10H2,1-4H3
InChIKeyXHEZFAGSMLGYAG-UHFFFAOYSA-N
XLogP1.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine (CID 58365068) is 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine is CC(C)(C)OC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine?
The InChIKey is XHEZFAGSMLGYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-12(2,3)16-11-5-7-13(8-6-11)9-10-17(4,14)15/h11H,5-10H2,1-4H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine?
4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine has a molecular weight of 263.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxy]-1-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 58365068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).