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

C12H14FNO2S — CID 10637346

IUPAC4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO2S/c13-9-1-3-10(4-2-9)17-11-5-7-14(8-6-11)12(15)16/h1-4,11H,5-8H2,(H,15,16)
InChIKeyMEBYEOJHIQOOAI-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.06
Rot. Bonds2

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

4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid (PubChem CID 10637346) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
PubChem CID10637346
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C12H14FNO2S/c13-9-1-3-10(4-2-9)17-11-5-7-14(8-6-11)12(15)16/h1-4,11H,5-8H2,(H,15,16)
InChIKeyMEBYEOJHIQOOAI-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

Analyze 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(methanesulfonamido)phenyl]sulfanylpiperidine-1-carboxylic acid
CID 69185191
(3R)-3-(4-cyanophenyl)sulfanylpyrrolidine-1-carboxylic acid
CID 146461396
2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 155023933
2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid
CID 67816069
(3S)-1-(4-fluorobenzoyl)-3-phenylsulfanylazepan-2-one
CID 727706
4-[(3-bromo-2-pyridinyl)sulfanyl]piperidine-1-carboxylic acid
CID 90319849
4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
CID 118164700
(2S)-2-amino-1-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propan-1-one
CID 99704053
(4-fluorophenyl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 72717817
2-(4-fluorophenyl)sulfanyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878308
(3-fluoro-5-pyrimidin-5-ylphenyl)-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 169411370
3-(4-fluorophenyl)sulfanylpyrrolidine
CID 62328283

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid (CID 10637346) is 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid is O=C(O)N1CCC(Sc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The InChIKey is MEBYEOJHIQOOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-9-1-3-10(4-2-9)17-11-5-7-14(8-6-11)12(15)16/h1-4,11H,5-8H2,(H,15,16).
What are the key properties of 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
4-(4-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-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid is sourced from PubChem (CID 10637346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).