4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine

C18H37NO2S — CID 129254179

IUPAC4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine
SMILESCCCCCC(CC)CCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C18H37NO2S/c1-4-6-7-8-17(5-2)9-10-18-11-13-19(14-12-18)15-16-22(3,20)21/h17-18H,4-16H2,1-3H3
InChIKeyRRWFLJOLIMUPLI-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.13
Rot. Bonds11

About 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine

4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine (PubChem CID 129254179) has the molecular formula C18H37NO2S and a molecular weight of 331.57 g/mol. Its IUPAC name is 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine.

Molecular Properties

Compound Name4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine
PubChem CID129254179
Molecular FormulaC18H37NO2S
Molecular Weight331.57 g/mol
Exact Mass331.25
IUPAC Name4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine
SMILESCCCCCC(CC)CCC1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C18H37NO2S/c1-4-6-7-8-17(5-2)9-10-18-11-13-19(14-12-18)15-16-22(3,20)21/h17-18H,4-16H2,1-3H3
InChIKeyRRWFLJOLIMUPLI-UHFFFAOYSA-N
XLogP4.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine?
The IUPAC name of 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine (CID 129254179) is 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine.
What is the SMILES notation for 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine?
The canonical SMILES for 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine is CCCCCC(CC)CCC1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine?
The InChIKey is RRWFLJOLIMUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2S/c1-4-6-7-8-17(5-2)9-10-18-11-13-19(14-12-18)15-16-22(3,20)21/h17-18H,4-16H2,1-3H3.
What are the key properties of 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine?
4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine has a molecular weight of 331.57 g/mol, XLogP of 4.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyloctyl)-1-(2-methylsulfonylethyl)piperidine is sourced from PubChem (CID 129254179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).