4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol

C8H13N3OS — CID 130871486

IUPAC4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol
SMILESOC1(Cc2cnsn2)CCNCC1
InChIInChI=1S/C8H13N3OS/c12-8(1-3-9-4-2-8)5-7-6-10-13-11-7/h6,9,12H,1-5H2
InChIKeyNAXDAKZOVKUZPU-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.20
Rot. Bonds2

About 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol

4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol (PubChem CID 130871486) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol
PubChem CID130871486
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol
SMILESOC1(Cc2cnsn2)CCNCC1
InChIInChI=1S/C8H13N3OS/c12-8(1-3-9-4-2-8)5-7-6-10-13-11-7/h6,9,12H,1-5H2
InChIKeyNAXDAKZOVKUZPU-UHFFFAOYSA-N
XLogP0.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol (CID 130871486) is 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol is OC1(Cc2cnsn2)CCNCC1.
What is the InChIKey of 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol?
The InChIKey is NAXDAKZOVKUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c12-8(1-3-9-4-2-8)5-7-6-10-13-11-7/h6,9,12H,1-5H2.
What are the key properties of 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol?
4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol has a molecular weight of 199.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,5-thiadiazol-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 130871486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).