1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine

C14H20FNOS — CID 57448053

IUPAC1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine
SMILESCCN1CCC(c2cccc(S(C)=O)c2F)CC1
InChIInChI=1S/C14H20FNOS/c1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)18(2)17/h4-6,11H,3,7-10H2,1-2H3
InChIKeyQKDDMUMQUVPTQI-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.76
Rot. Bonds3

About 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine

1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine (PubChem CID 57448053) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine
PubChem CID57448053
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine
SMILESCCN1CCC(c2cccc(S(C)=O)c2F)CC1
InChIInChI=1S/C14H20FNOS/c1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)18(2)17/h4-6,11H,3,7-10H2,1-2H3
InChIKeyQKDDMUMQUVPTQI-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine?
The IUPAC name of 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine (CID 57448053) is 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine.
What is the SMILES notation for 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine?
The canonical SMILES for 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine is CCN1CCC(c2cccc(S(C)=O)c2F)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine?
The InChIKey is QKDDMUMQUVPTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)18(2)17/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine?
1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine has a molecular weight of 269.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine is sourced from PubChem (CID 57448053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).