1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone

C17H19NO2S — CID 60719075

IUPAC1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H19NO2S/c19-15-5-3-13(4-6-15)14-7-9-18(10-8-14)17(20)12-16-2-1-11-21-16/h1-6,11,14,19H,7-10,12H2
InChIKeyILFTWHKIAPZBCE-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.40
Rot. Bonds3

About 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 60719075) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID60719075
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H19NO2S/c19-15-5-3-13(4-6-15)14-7-9-18(10-8-14)17(20)12-16-2-1-11-21-16/h1-6,11,14,19H,7-10,12H2
InChIKeyILFTWHKIAPZBCE-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
1-[4-(1-aminoethyl)piperidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119519452
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 80552497
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 71801548
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793008

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 60719075) is 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is ILFTWHKIAPZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-15-5-3-13(4-6-15)14-7-9-18(10-8-14)17(20)12-16-2-1-11-21-16/h1-6,11,14,19H,7-10,12H2.
What are the key properties of 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 301.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 60719075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).