3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine

C16H25NO2S — CID 71983624

IUPAC3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine
SMILESCCC1CN(CCS(C)(=O)=O)CCC1c1ccccc1
InChIInChI=1S/C16H25NO2S/c1-3-14-13-17(11-12-20(2,18)19)10-9-16(14)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3
InChIKeyAFNFSUOLXPKCRW-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.55
Rot. Bonds5

About 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine

3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine (PubChem CID 71983624) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine.

Molecular Properties

Compound Name3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine
PubChem CID71983624
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine
SMILESCCC1CN(CCS(C)(=O)=O)CCC1c1ccccc1
InChIInChI=1S/C16H25NO2S/c1-3-14-13-17(11-12-20(2,18)19)10-9-16(14)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3
InChIKeyAFNFSUOLXPKCRW-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine?
The IUPAC name of 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine (CID 71983624) is 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine.
What is the SMILES notation for 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine?
The canonical SMILES for 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine is CCC1CN(CCS(C)(=O)=O)CCC1c1ccccc1.
What is the InChIKey of 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine?
The InChIKey is AFNFSUOLXPKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-14-13-17(11-12-20(2,18)19)10-9-16(14)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine?
3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine has a molecular weight of 295.45 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine is sourced from PubChem (CID 71983624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).