(5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H19NO2S — CID 43422429

IUPAC(5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C13H19NO2S/c1-2-11-5-6-12(17-11)13(16)14-7-3-4-10(8-14)9-15/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyDCQVKEMDIOWTAO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds3

About (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43422429) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43422429
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C(=O)N2CCCC(CO)C2)s1
InChIInChI=1S/C13H19NO2S/c1-2-11-5-6-12(17-11)13(16)14-7-3-4-10(8-14)9-15/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyDCQVKEMDIOWTAO-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{3-Benzyl-1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanol
CID 24790078
Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate
CID 2904303
2-[ethyl({(3R*,4R*)-4-(hydroxymethyl)-1-[(5-methyl-2-thienyl)carbonyl]pyrrolidin-3-yl}methyl)amino]ethanol
CID 70781611
[3-(Dimethylamino)-1-(thiophene-2-carbonyl)piperidin-4-YL]methanol
CID 110197492
3,5-Dimethylpiperidyl 2-thienyl ketone
CID 3497465
[4-(2-Methoxyethyl)piperidino](3-methyl-2-thienyl)methanone
CID 53150843
[4-(2-Methoxyethyl)piperidino](5-methyl-2-thienyl)methanone
CID 53150844
[4-(2-Methoxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 53150894
(3S*,4R*)-4-(hydroxymethyl)-1-[(5-isopropyl-3-thienyl)carbonyl]-3-piperidinol
CID 56905783
(3R*,4S*)-1-{[5-(methoxymethyl)-2-thienyl]carbonyl}-3,4-dimethylpiperidin-4-ol
CID 70719146
((3S*,5R*)-1-[(4,5-dimethyl-2-thienyl)carbonyl]-5-{[(2-methoxyethyl)(methyl)amino]methyl}-3-piperidinyl)methanol
CID 72875194
1-{4-[((3S*,5R*)-3-(hydroxymethyl)-5-{[(2-methoxyethyl)(methyl)amino]methyl}piperidin-1-yl)carbonyl]-2-thienyl}ethanone
CID 72880941

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 43422429) is (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is CCc1ccc(C(=O)N2CCCC(CO)C2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is DCQVKEMDIOWTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-11-5-6-12(17-11)13(16)14-7-3-4-10(8-14)9-15/h5-6,10,15H,2-4,7-9H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 253.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43422429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).