2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid

C12H14FNO2S — CID 155023933

IUPAC2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c13-9-4-6-10(7-5-9)17-11-3-1-2-8-14(11)12(15)16/h4-7,11H,1-3,8H2,(H,15,16)
InChIKeyIJBHAKKTKCIZBA-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.41
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid

2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid (PubChem CID 155023933) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
PubChem CID155023933
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCCCC1Sc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c13-9-4-6-10(7-5-9)17-11-3-1-2-8-14(11)12(15)16/h4-7,11H,1-3,8H2,(H,15,16)
InChIKeyIJBHAKKTKCIZBA-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride
CID 140622707
4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 10637346
2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxylic acid
CID 67816069
2-(4-fluoroanilino)piperidine-1-carboxylic acid
CID 90887307
2-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]pyrrolidine-1-carboxylic acid
CID 155434176
3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 138597714
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009534
(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 66264111
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
(3S)-1-(4-fluorobenzoyl)-3-phenylsulfanylazepan-2-one
CID 727706
1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-2-carboxylic acid
CID 43441261

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid (CID 155023933) is 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid is O=C(O)N1CCCCC1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
The InChIKey is IJBHAKKTKCIZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-9-4-6-10(7-5-9)17-11-3-1-2-8-14(11)12(15)16/h4-7,11H,1-3,8H2,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid?
2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylpiperidine-1-carboxylic acid is sourced from PubChem (CID 155023933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).