2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

C20H22FNO2S — CID 134012438

IUPAC2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H22FNO2S/c21-17-6-8-18(9-7-17)25-14-19(23)22-12-10-16(11-13-22)20(24)15-4-2-1-3-5-15/h1-9,16,20,24H,10-14H2
InChIKeyGSFZUWZWKMMYLW-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.89
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 134012438) has the molecular formula C20H22FNO2S and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
PubChem CID134012438
Molecular FormulaC20H22FNO2S
Molecular Weight359.47 g/mol
Exact Mass359.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H22FNO2S/c21-17-6-8-18(9-7-17)25-14-19(23)22-12-10-16(11-13-22)20(24)15-4-2-1-3-5-15/h1-9,16,20,24H,10-14H2
InChIKeyGSFZUWZWKMMYLW-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (CID 134012438) is 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is O=C(CSc1ccc(F)cc1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is GSFZUWZWKMMYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2S/c21-17-6-8-18(9-7-17)25-14-19(23)22-12-10-16(11-13-22)20(24)15-4-2-1-3-5-15/h1-9,16,20,24H,10-14H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 134012438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).