4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol

C13H17N3OS — CID 81043389

IUPAC4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2-c2cccs2)CCNCC1
InChIInChI=1S/C13H17N3OS/c17-13(3-5-14-6-4-13)10-16-8-7-15-12(16)11-2-1-9-18-11/h1-2,7-9,14,17H,3-6,10H2
InChIKeyDXOWHIWWCDDRFB-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.73
Rot. Bonds3

About 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol

4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol (PubChem CID 81043389) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol
PubChem CID81043389
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol
SMILESOC1(Cn2ccnc2-c2cccs2)CCNCC1
InChIInChI=1S/C13H17N3OS/c17-13(3-5-14-6-4-13)10-16-8-7-15-12(16)11-2-1-9-18-11/h1-2,7-9,14,17H,3-6,10H2
InChIKeyDXOWHIWWCDDRFB-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol (CID 81043389) is 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol is OC1(Cn2ccnc2-c2cccs2)CCNCC1.
What is the InChIKey of 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol?
The InChIKey is DXOWHIWWCDDRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13(3-5-14-6-4-13)10-16-8-7-15-12(16)11-2-1-9-18-11/h1-2,7-9,14,17H,3-6,10H2.
What are the key properties of 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol?
4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol has a molecular weight of 263.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 81043389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).