1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine

C14H20FNO3S — CID 121092351

IUPAC1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO3S/c1-19-10-13-5-3-7-16(9-13)20(17,18)11-12-4-2-6-14(15)8-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyCIWCUOSGYPFTLJ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.01
Rot. Bonds5

About 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine

1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine (PubChem CID 121092351) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine
PubChem CID121092351
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(S(=O)(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO3S/c1-19-10-13-5-3-7-16(9-13)20(17,18)11-12-4-2-6-14(15)8-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyCIWCUOSGYPFTLJ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(methoxymethyl)piperidin-1-yl]sulfonylmethyl]aniline
CID 106585690
[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]methanamine
CID 119971950
3-[[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid
CID 64570843
tert-butyl N-[[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 56586751
1-[(3-fluorophenyl)methylsulfonyl]-3-methylpiperazine
CID 119981962
3-(benzenesulfonyl)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidine
CID 71805609
5-bromo-2-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methoxy]pyrimidine
CID 138988558
3-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 43589681
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 45174478
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]triazole
CID 121178833
3-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzoic acid
CID 43590279

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine?
The IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine (CID 121092351) is 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine is COCC1CCCN(S(=O)(=O)Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine?
The InChIKey is CIWCUOSGYPFTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-19-10-13-5-3-7-16(9-13)20(17,18)11-12-4-2-6-14(15)8-12/h2,4,6,8,13H,3,5,7,9-11H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine?
1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine has a molecular weight of 301.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylsulfonyl]-3-(methoxymethyl)piperidine is sourced from PubChem (CID 121092351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).