4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate

C20H21FNO4S- — CID 22127028

IUPAC4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
SMILESCS(=O)c1ccc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO4S/c1-27(25)17-8-2-14(3-9-17)13-26-19-12-22(20(23)24)11-10-18(19)15-4-6-16(21)7-5-15/h2-9,18-19H,10-13H2,1H3,(H,23,24)/p-1
InChIKeyWJXSSCILIOALSE-UHFFFAOYSA-M
MW390.46 g/mol
LogP2.28
Rot. Bonds5

About 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate

4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate (PubChem CID 22127028) has the molecular formula C20H21FNO4S- and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
PubChem CID22127028
Molecular FormulaC20H21FNO4S-
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
SMILESCS(=O)c1ccc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO4S/c1-27(25)17-8-2-14(3-9-17)13-26-19-12-22(20(23)24)11-10-18(19)15-4-6-16(21)7-5-15/h2-9,18-19H,10-13H2,1H3,(H,23,24)/p-1
InChIKeyWJXSSCILIOALSE-UHFFFAOYSA-M
XLogP2.28
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate 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

3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 22128638
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
3-[(4-methylsulfanylphenyl)methoxy]-4-[4-[(E)-3-phenylprop-2-enoxy]phenyl]piperidine-1-carboxylate
CID 22127565
4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22127187
4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128461
4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
CID 22126836
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127455
4-[4-[2-(2-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128531

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate (CID 22127028) is 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate is CS(=O)c1ccc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate?
The InChIKey is WJXSSCILIOALSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22FNO4S/c1-27(25)17-8-2-14(3-9-17)13-26-19-12-22(20(23)24)11-10-18(19)15-4-6-16(21)7-5-15/h2-9,18-19H,10-13H2,1H3,(H,23,24)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22127028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).