3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol

C9H14N2OS — CID 67257846

IUPAC3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
SMILESOC1CCNCC1Cc1nccs1
InChIInChI=1S/C9H14N2OS/c12-8-1-2-10-6-7(8)5-9-11-3-4-13-9/h3-4,7-8,10,12H,1-2,5-6H2
InChIKeyOJEUMJWZKFANNF-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.66
Rot. Bonds2

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

3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol (PubChem CID 67257846) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
PubChem CID67257846
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol
SMILESOC1CCNCC1Cc1nccs1
InChIInChI=1S/C9H14N2OS/c12-8-1-2-10-6-7(8)5-9-11-3-4-13-9/h3-4,7-8,10,12H,1-2,5-6H2
InChIKeyOJEUMJWZKFANNF-UHFFFAOYSA-N
XLogP0.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol (CID 67257846) is 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol is OC1CCNCC1Cc1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
The InChIKey is OJEUMJWZKFANNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-8-1-2-10-6-7(8)5-9-11-3-4-13-9/h3-4,7-8,10,12H,1-2,5-6H2.
What are the key properties of 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol?
3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol has a molecular weight of 198.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 67257846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).