4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid

C12H14FNO2S — CID 10565539

IUPAC4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Sc2cccc(F)c2)CC1
InChIInChI=1S/C12H14FNO2S/c13-9-2-1-3-11(8-9)17-10-4-6-14(7-5-10)12(15)16/h1-3,8,10H,4-7H2,(H,15,16)
InChIKeyRYTLXPFGJUTGRZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.06
Rot. Bonds2

About 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid

4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid (PubChem CID 10565539) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
PubChem CID10565539
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Sc2cccc(F)c2)CC1
InChIInChI=1S/C12H14FNO2S/c13-9-2-1-3-11(8-9)17-10-4-6-14(7-5-10)12(15)16/h1-3,8,10H,4-7H2,(H,15,16)
InChIKeyRYTLXPFGJUTGRZ-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

AC1Lgqzx
CID 875426
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 51072581
S-phenyl piperidine-1-carbothioate
CID 179591
Tert-butyl 4-(phenylthio)piperidine-1-carboxylate
CID 10589836
S-(4-fluorophenyl) piperidine-1-carbothioate
CID 135024913
4-(4-Fluorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 10637346
4-[3-(Trifluoromethyl)phenyl]sulfanylpiperidine-1-carboxylic acid
CID 10688636
tert-Butyl 4-((4-fluorophenyl)thio)piperidine-1-carboxylate
CID 10881491
Tert-butyl 4-(4-fluorophenyl)sulfinylpiperidine-1-carboxylate
CID 11695564
4-(4-Fluorophenyl)sulfanyl-1-methylpiperidine
CID 12432698
4-[(2-Fluorophenyl)thio]-1-methylpiperidine
CID 13825029
Ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 15389205

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid (CID 10565539) is 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid is O=C(O)N1CCC(Sc2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The InChIKey is RYTLXPFGJUTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-9-2-1-3-11(8-9)17-10-4-6-14(7-5-10)12(15)16/h1-3,8,10H,4-7H2,(H,15,16).
What are the key properties of 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfanylpiperidine-1-carboxylic acid is sourced from PubChem (CID 10565539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).