[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

C18H19F3N2O3S — CID 90603468

IUPAC[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)26-14-5-3-13(4-6-14)17(25)23-9-7-22(8-10-23)12-15(24)16-2-1-11-27-16/h1-6,11,15,24H,7-10,12H2
InChIKeySROBWIIWNNYATH-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.14
Rot. Bonds5

About [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 90603468) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID90603468
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C18H19F3N2O3S/c19-18(20,21)26-14-5-3-13(4-6-14)17(25)23-9-7-22(8-10-23)12-15(24)16-2-1-11-27-16/h1-6,11,15,24H,7-10,12H2
InChIKeySROBWIIWNNYATH-UHFFFAOYSA-N
XLogP3.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone with MolForge

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Related Compounds

[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 97038831
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90603452
(2-bromophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782979
2-(4-chlorophenoxy)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 90603399
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 90603435
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
N-butan-2-yl-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 134043731
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141
(E)-1-[4-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 94658848
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 90603468) is [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is SROBWIIWNNYATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c19-18(20,21)26-14-5-3-13(4-6-14)17(25)23-9-7-22(8-10-23)12-15(24)16-2-1-11-27-16/h1-6,11,15,24H,7-10,12H2.
What are the key properties of [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 400.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 90603468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).