1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine

C14H20FNO2S — CID 11572784

IUPAC1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine
SMILESCCN1CCC(c2cc(F)cc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H20FNO2S/c1-3-16-6-4-11(5-7-16)12-8-13(15)10-14(9-12)19(2,17)18/h8-11H,3-7H2,1-2H3
InChIKeyPHRDGRSMZPOCAB-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.43
Rot. Bonds3

About 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine

1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine (PubChem CID 11572784) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine
PubChem CID11572784
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine
SMILESCCN1CCC(c2cc(F)cc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H20FNO2S/c1-3-16-6-4-11(5-7-16)12-8-13(15)10-14(9-12)19(2,17)18/h8-11H,3-7H2,1-2H3
InChIKeyPHRDGRSMZPOCAB-UHFFFAOYSA-N
XLogP2.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine?
The IUPAC name of 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine (CID 11572784) is 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine.
What is the SMILES notation for 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine?
The canonical SMILES for 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine is CCN1CCC(c2cc(F)cc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine?
The InChIKey is PHRDGRSMZPOCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-3-16-6-4-11(5-7-16)12-8-13(15)10-14(9-12)19(2,17)18/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine?
1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine has a molecular weight of 285.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluoro-5-methylsulfonylphenyl)piperidine is sourced from PubChem (CID 11572784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).