[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate

C16H23FN2O2S — CID 142832613

IUPAC[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate
SMILESCSCCNC(=O)OC1CCN(c2ccc(F)cc2C)CC1
InChIInChI=1S/C16H23FN2O2S/c1-12-11-13(17)3-4-15(12)19-8-5-14(6-9-19)21-16(20)18-7-10-22-2/h3-4,11,14H,5-10H2,1-2H3,(H,18,20)
InChIKeyFXNCBIZDRXIZGV-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.19
Rot. Bonds5

About [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate

[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate (PubChem CID 142832613) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate
PubChem CID142832613
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC Name[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate
SMILESCSCCNC(=O)OC1CCN(c2ccc(F)cc2C)CC1
InChIInChI=1S/C16H23FN2O2S/c1-12-11-13(17)3-4-15(12)19-8-5-14(6-9-19)21-16(20)18-7-10-22-2/h3-4,11,14H,5-10H2,1-2H3,(H,18,20)
InChIKeyFXNCBIZDRXIZGV-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate
CID 69463727
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
2-[[[[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]amino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041238
2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol
CID 142832465
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950
1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol
CID 142832495
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
CID 43216546
(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131897552
[1-(4-bromo-2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 170167231
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate (CID 142832613) is [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate is CSCCNC(=O)OC1CCN(c2ccc(F)cc2C)CC1.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate?
The InChIKey is FXNCBIZDRXIZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-12-11-13(17)3-4-15(12)19-8-5-14(6-9-19)21-16(20)18-7-10-22-2/h3-4,11,14H,5-10H2,1-2H3,(H,18,20).
What are the key properties of [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate?
[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate has a molecular weight of 326.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate is sourced from PubChem (CID 142832613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).