2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol

C14H21FN2OS — CID 60669921

IUPAC2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCSc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2OS/c15-13-1-3-14(4-2-13)19-12-10-17-7-5-16(6-8-17)9-11-18/h1-4,18H,5-12H2
InChIKeyHXEWBOJWGJVHIQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.53
Rot. Bonds6

About 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol

2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol (PubChem CID 60669921) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol
PubChem CID60669921
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCSc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2OS/c15-13-1-3-14(4-2-13)19-12-10-17-7-5-16(6-8-17)9-11-18/h1-4,18H,5-12H2
InChIKeyHXEWBOJWGJVHIQ-UHFFFAOYSA-N
XLogP1.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol (CID 60669921) is 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol is OCCN1CCN(CCSc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol?
The InChIKey is HXEWBOJWGJVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c15-13-1-3-14(4-2-13)19-12-10-17-7-5-16(6-8-17)9-11-18/h1-4,18H,5-12H2.
What are the key properties of 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol?
2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol has a molecular weight of 284.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)sulfanylethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 60669921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).