[2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol

C20H24FNOS — CID 151251982

IUPAC[2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CCSc2ccccc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FNOS/c21-18-8-6-17(7-9-18)20-14-16(15-23)10-11-22(20)12-13-24-19-4-2-1-3-5-19/h1-9,16,20,23H,10-15H2
InChIKeyNSNHSSLWUAMLBL-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.36
Rot. Bonds6

About [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol

[2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol (PubChem CID 151251982) has the molecular formula C20H24FNOS and a molecular weight of 345.48 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol
PubChem CID151251982
Molecular FormulaC20H24FNOS
Molecular Weight345.48 g/mol
Exact Mass345.16
IUPAC Name[2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol
SMILESOCC1CCN(CCSc2ccccc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FNOS/c21-18-8-6-17(7-9-18)20-14-16(15-23)10-11-22(20)12-13-24-19-4-2-1-3-5-19/h1-9,16,20,23H,10-15H2
InChIKeyNSNHSSLWUAMLBL-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol (CID 151251982) is [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol is OCC1CCN(CCSc2ccccc2)C(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol?
The InChIKey is NSNHSSLWUAMLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS/c21-18-8-6-17(7-9-18)20-14-16(15-23)10-11-22(20)12-13-24-19-4-2-1-3-5-19/h1-9,16,20,23H,10-15H2.
What are the key properties of [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol?
[2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol has a molecular weight of 345.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1-(2-phenylsulfanylethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 151251982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).