1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid

C14H18FNO2S — CID 43441261

IUPAC1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCSc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2S/c15-11-4-6-12(7-5-11)19-10-9-16-8-2-1-3-13(16)14(17)18/h4-7,13H,1-3,8-10H2,(H,17,18)
InChIKeyAEFYNVJJGVRGOH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.86
Rot. Bonds5

About 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid

1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid (PubChem CID 43441261) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
PubChem CID43441261
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCSc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2S/c15-11-4-6-12(7-5-11)19-10-9-16-8-2-1-3-13(16)14(17)18/h4-7,13H,1-3,8-10H2,(H,17,18)
InChIKeyAEFYNVJJGVRGOH-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
CID 43441149
1-(2-benzylsulfanylethyl)piperidine-2-carboxylic acid
CID 122040507
1-[2-chloro-2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 82214513
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[2-(4-fluorophenyl)propyl]pyrrolidine-2-carboxylic acid
CID 122036591
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
(3R)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 81126736
1-[(3,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 105404580
(2S)-1-[2-[bis(4-fluoro-2-methylphenyl)methylideneamino]oxyethyl]piperidine-2-carboxylic acid
CID 10813540
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
1-(2-phenylsulfanylethyl)piperidine-2-carbaldehyde
CID 62654968

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid (CID 43441261) is 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CCSc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid?
The InChIKey is AEFYNVJJGVRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-11-4-6-12(7-5-11)19-10-9-16-8-2-1-3-13(16)14(17)18/h4-7,13H,1-3,8-10H2,(H,17,18).
What are the key properties of 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid?
1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).