1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine

C14H20FNO3S — CID 110638637

IUPAC1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-2-20(17,18)16-9-5-6-12(10-16)11-19-14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyZHRQRLALAUUKRC-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.27
Rot. Bonds5

About 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine

1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine (PubChem CID 110638637) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
PubChem CID110638637
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
SMILESCCS(=O)(=O)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-2-20(17,18)16-9-5-6-12(10-16)11-19-14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyZHRQRLALAUUKRC-UHFFFAOYSA-N
XLogP2.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenoxy)methyl]-1-propylsulfonylpiperidine
CID 110638480
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
CID 110411604
3-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzonitrile
CID 103793518
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine
CID 110411627
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine?
The IUPAC name of 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine (CID 110638637) is 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine?
The canonical SMILES for 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine is CCS(=O)(=O)N1CCCC(COc2ccccc2F)C1.
What is the InChIKey of 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine?
The InChIKey is ZHRQRLALAUUKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-20(17,18)16-9-5-6-12(10-16)11-19-14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine?
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine has a molecular weight of 301.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 110638637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).