1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

C12H17NO2S — CID 18760287

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC(CO)C1
InChIInChI=1S/C12H17NO2S/c14-9-10-3-1-5-13(8-10)12(15)7-11-4-2-6-16-11/h2,4,6,10,14H,1,3,5,7-9H2
InChIKeyNKKYXZMETVSCMJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.52
Rot. Bonds3

About 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 18760287) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID18760287
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC(CO)C1
InChIInChI=1S/C12H17NO2S/c14-9-10-3-1-5-13(8-10)12(15)7-11-4-2-6-16-11/h2,4,6,10,14H,1,3,5,7-9H2
InChIKeyNKKYXZMETVSCMJ-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl-(4-hydroxypiperidin-1-yl)methanone
CID 71995199
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
1-(3-Methylpiperidyl)-2-(2-thienyl)ethan-1-one
CID 3133602
2-[(3R,4S)-3-[2-(diethylamino)ethyl]-1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetic acid
CID 25312587
1-[4-(2-Methoxyethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53150832
N~1~-{2-[4-(2-Methoxyethyl)piperidino]-2-oxoethyl}-N~1~-methyl-2-(2-thienyl)acetamide
CID 53151068
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[4-(2-thienyl)butanoyl]-4-piperidinol
CID 72879782
{3-(Cyclopropylmethyl)-1-[3-(2-thienyl)propanoyl]-3-piperidinyl}methanol
CID 72888762
N-(tetrahydro-2H-pyran-4-yl)-N-(2-(thiophen-2-yl)ethyl)cyclohex-3-enecarboxamide
CID 76147291
1-[2-(Cyclopropylmethyl)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-(2-thienyl)-1-ethanone
CID 86771533
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-thiophen-2-ylpropanamide
CID 71972415
1-(3,5-Dimethylmorpholin-4-yl)-2-thiophen-2-ylpropan-1-one
CID 72004051

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 18760287) is 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCC(CO)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is NKKYXZMETVSCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-9-10-3-1-5-13(8-10)12(15)7-11-4-2-6-16-11/h2,4,6,10,14H,1,3,5,7-9H2.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 239.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 18760287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).