2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol

C12H19NO2S — CID 157039472

IUPAC2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCc1ccsc1
InChIInChI=1S/C12H19NO2S/c14-8-11-7-12(15)2-5-13(11)4-1-10-3-6-16-9-10/h3,6,9,11-12,14-15H,1-2,4-5,7-8H2
InChIKeyYYFWAPSQAUPZIE-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.11
Rot. Bonds4

About 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol

2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol (PubChem CID 157039472) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol
PubChem CID157039472
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCc1ccsc1
InChIInChI=1S/C12H19NO2S/c14-8-11-7-12(15)2-5-13(11)4-1-10-3-6-16-9-10/h3,6,9,11-12,14-15H,1-2,4-5,7-8H2
InChIKeyYYFWAPSQAUPZIE-UHFFFAOYSA-N
XLogP1.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol (CID 157039472) is 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol is OCC1CC(O)CCN1CCc1ccsc1.
What is the InChIKey of 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
The InChIKey is YYFWAPSQAUPZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c14-8-11-7-12(15)2-5-13(11)4-1-10-3-6-16-9-10/h3,6,9,11-12,14-15H,1-2,4-5,7-8H2.
What are the key properties of 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol?
2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol has a molecular weight of 241.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-(2-thiophen-3-ylethyl)piperidin-4-ol is sourced from PubChem (CID 157039472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).