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

C17H19FN2O2S — CID 71782978

IUPAC(4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-14-5-3-13(4-6-14)17(22)20-9-7-19(8-10-20)12-15(21)16-2-1-11-23-16/h1-6,11,15,21H,7-10,12H2
InChIKeyUWKBSEBFYBJMJX-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds4

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

(4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone (PubChem CID 71782978) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
PubChem CID71782978
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name(4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C17H19FN2O2S/c18-14-5-3-13(4-6-14)17(22)20-9-7-19(8-10-20)12-15(21)16-2-1-11-23-16/h1-6,11,15,21H,7-10,12H2
InChIKeyUWKBSEBFYBJMJX-UHFFFAOYSA-N
XLogP2.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
CID 25023803
[3-[(2,3-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028967
[3-[(3,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028994
[3-[(2,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46029051
N-(sec-butyl)-4-(hydroxymethyl)-N-(3-thienylmethyl)benzamide
CID 46992120
2-(4-Fluorophenyl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 49669904
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
[4-[2-(3-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 56815066
[4-[2-(4-Fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 56816674
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone (CID 71782978) is (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
The InChIKey is UWKBSEBFYBJMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-14-5-3-13(4-6-14)17(22)20-9-7-19(8-10-20)12-15(21)16-2-1-11-23-16/h1-6,11,15,21H,7-10,12H2.
What are the key properties of (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71782978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).