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

C13H21NO2S — CID 157039454

IUPAC2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCCc1ccsc1
InChIInChI=1S/C13H21NO2S/c15-9-12-8-13(16)3-6-14(12)5-1-2-11-4-7-17-10-11/h4,7,10,12-13,15-16H,1-3,5-6,8-9H2
InChIKeyMLHVKKJOAXHKMJ-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.50
Rot. Bonds5

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

2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol (PubChem CID 157039454) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol
PubChem CID157039454
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCCc1ccsc1
InChIInChI=1S/C13H21NO2S/c15-9-12-8-13(16)3-6-14(12)5-1-2-11-4-7-17-10-11/h4,7,10,12-13,15-16H,1-3,5-6,8-9H2
InChIKeyMLHVKKJOAXHKMJ-UHFFFAOYSA-N
XLogP1.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol (CID 157039454) is 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol is OCC1CC(O)CCN1CCCc1ccsc1.
What is the InChIKey of 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
The InChIKey is MLHVKKJOAXHKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c15-9-12-8-13(16)3-6-14(12)5-1-2-11-4-7-17-10-11/h4,7,10,12-13,15-16H,1-3,5-6,8-9H2.
What are the key properties of 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol?
2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol has a molecular weight of 255.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-(3-thiophen-3-ylpropyl)piperidin-4-ol is sourced from PubChem (CID 157039454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).