2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol

C15H24N2OS2 — CID 10425683

IUPAC2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2(c3cccs3)CCCSC2)CC1
InChIInChI=1S/C15H24N2OS2/c18-10-9-16-5-7-17(8-6-16)15(4-2-11-19-13-15)14-3-1-12-20-14/h1,3,12,18H,2,4-11,13H2
InChIKeyAHJCYFQNXZRHNJ-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.08
Rot. Bonds4

About 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol

2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol (PubChem CID 10425683) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol
PubChem CID10425683
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC Name2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(C2(c3cccs3)CCCSC2)CC1
InChIInChI=1S/C15H24N2OS2/c18-10-9-16-5-7-17(8-6-16)15(4-2-11-19-13-15)14-3-1-12-20-14/h1,3,12,18H,2,4-11,13H2
InChIKeyAHJCYFQNXZRHNJ-UHFFFAOYSA-N
XLogP2.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tenocyclidine
CID 62751
2-[1-Benzyl-4-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 16192245
1-(1-(2-Thienyl)cyclohexyl)morpholine
CID 210739
Piperazine, 4-methyl-1-(1-(2-thienyl)cyclohexyl)-, hydrochloride
CID 210730
Morpholine, 4-(1-(2-thienyl)cyclohexyl)-, hydrochloride
CID 210738
Piperidine, 1-(4-(2-thienyl)tetrahydro-2H-thiopyran-4-yl)-, hydrochloride
CID 210773
Morpholinium, 4-methyl-4-(1-(2-thienyl)cyclohexyl)-, iodide
CID 210777
Piperazinium, 1,1-dimethyl-4-(1-(2-thienyl)cyclohexyl)-, iodide
CID 3057403
Piperidinium, 1-methyl-1-(4-(2-thienyl)tetrahydro-2H-thiopyran-4-yl)-, iodide
CID 24842937
2-[Benzyl(3-thienylmethyl)amino]ethanol
CID 23910978
1-(4-Benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol
CID 2809879
2-[4-[(3-Methylthiophen-2-yl)methyl]piperazin-1-yl]ethanol
CID 779464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol (CID 10425683) is 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol is OCCN1CCN(C2(c3cccs3)CCCSC2)CC1.
What is the InChIKey of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
The InChIKey is AHJCYFQNXZRHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS2/c18-10-9-16-5-7-17(8-6-16)15(4-2-11-19-13-15)14-3-1-12-20-14/h1,3,12,18H,2,4-11,13H2.
What are the key properties of 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol?
2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol has a molecular weight of 312.50 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 10425683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).