[1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol

C14H19Cl2NO2S — CID 111442460

IUPAC[1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol
SMILESO=S(CCN1CCCC(CO)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c15-12-3-4-13(16)14(8-12)20(19)7-6-17-5-1-2-11(9-17)10-18/h3-4,8,11,18H,1-2,5-7,9-10H2
InChIKeyWKBRLIGAEUOWOH-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.81
Rot. Bonds5

About [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol

[1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol (PubChem CID 111442460) has the molecular formula C14H19Cl2NO2S and a molecular weight of 336.28 g/mol. Its IUPAC name is [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol
PubChem CID111442460
Molecular FormulaC14H19Cl2NO2S
Molecular Weight336.28 g/mol
Exact Mass335.05
IUPAC Name[1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol
SMILESO=S(CCN1CCCC(CO)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c15-12-3-4-13(16)14(8-12)20(19)7-6-17-5-1-2-11(9-17)10-18/h3-4,8,11,18H,1-2,5-7,9-10H2
InChIKeyWKBRLIGAEUOWOH-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol (CID 111442460) is [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol is O=S(CCN1CCCC(CO)C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol?
The InChIKey is WKBRLIGAEUOWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2S/c15-12-3-4-13(16)14(8-12)20(19)7-6-17-5-1-2-11(9-17)10-18/h3-4,8,11,18H,1-2,5-7,9-10H2.
What are the key properties of [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol?
[1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol has a molecular weight of 336.28 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,5-dichlorophenyl)sulfinylethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 111442460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).