1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol

C14H20F2N2OS — CID 126759659

IUPAC1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
SMILESCC(S)N1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H20F2N2OS/c1-10(20)18-7-5-17(6-8-18)9-13(19)14-11(15)3-2-4-12(14)16/h2-4,10,13,19-20H,5-9H2,1H3
InChIKeyGZSUZLXLWXHRAJ-UHFFFAOYSA-N
MW302.39 g/mol
LogP1.89
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol

1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol (PubChem CID 126759659) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
PubChem CID126759659
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
SMILESCC(S)N1CCN(CC(O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H20F2N2OS/c1-10(20)18-7-5-17(6-8-18)9-13(19)14-11(15)3-2-4-12(14)16/h2-4,10,13,19-20H,5-9H2,1H3
InChIKeyGZSUZLXLWXHRAJ-UHFFFAOYSA-N
XLogP1.89
TPSA26.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]ethanol
CID 111543382
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
1-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110897851
1-(2,6-difluorophenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]ethanol
CID 110899763
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539561
1-[1-(2,6-difluorophenyl)ethyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111106058
4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-2-one
CID 110897257
2-[4-[2-(2,6-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110897687
1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912986

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol (CID 126759659) is 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol is CC(S)N1CCN(CC(O)c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol?
The InChIKey is GZSUZLXLWXHRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c1-10(20)18-7-5-17(6-8-18)9-13(19)14-11(15)3-2-4-12(14)16/h2-4,10,13,19-20H,5-9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol?
1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol has a molecular weight of 302.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 126759659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).