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

C16H17NO2S — CID 47142241

IUPAC[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H17NO2S/c18-14-5-3-12(4-6-14)13-7-9-17(10-8-13)16(19)15-2-1-11-20-15/h1-6,11,13,18H,7-10H2
InChIKeyYLQOLZUYZXTYTL-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.47
Rot. Bonds2

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

[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 47142241) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID47142241
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H17NO2S/c18-14-5-3-12(4-6-14)13-7-9-17(10-8-13)16(19)15-2-1-11-20-15/h1-6,11,13,18H,7-10H2
InChIKeyYLQOLZUYZXTYTL-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-hydroxyphenyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51327495
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[4-(4-hydroxyphenyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 78949659
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 47142241) is [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is YLQOLZUYZXTYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-14-5-3-12(4-6-14)13-7-9-17(10-8-13)16(19)15-2-1-11-20-15/h1-6,11,13,18H,7-10H2.
What are the key properties of [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 287.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 47142241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).