4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

C11H19N3OS — CID 81114967

IUPAC4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCCCc1nsc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-4-9-12-10(16-13-9)14-7-5-11(2,15)6-8-14/h15H,3-8H2,1-2H3
InChIKeyVUJHKVKHLOIOAM-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.84
Rot. Bonds3

About 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol

4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (PubChem CID 81114967) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
PubChem CID81114967
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
SMILESCCCc1nsc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-4-9-12-10(16-13-9)14-7-5-11(2,15)6-8-14/h15H,3-8H2,1-2H3
InChIKeyVUJHKVKHLOIOAM-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol (CID 81114967) is 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is CCCc1nsc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
The InChIKey is VUJHKVKHLOIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-4-9-12-10(16-13-9)14-7-5-11(2,15)6-8-14/h15H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol?
4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol has a molecular weight of 241.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 81114967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).