piperidin-4-yl(1,3-thiazol-2-yl)methanol

C9H14N2OS — CID 83686260

IUPACpiperidin-4-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)C1CCNCC1
InChIInChI=1S/C9H14N2OS/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7/h5-8,10,12H,1-4H2
InChIKeyNEFLDEFRMOXPIT-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.18
Rot. Bonds2

About piperidin-4-yl(1,3-thiazol-2-yl)methanol

piperidin-4-yl(1,3-thiazol-2-yl)methanol (PubChem CID 83686260) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is piperidin-4-yl(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Namepiperidin-4-yl(1,3-thiazol-2-yl)methanol
PubChem CID83686260
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Namepiperidin-4-yl(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)C1CCNCC1
InChIInChI=1S/C9H14N2OS/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7/h5-8,10,12H,1-4H2
InChIKeyNEFLDEFRMOXPIT-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl(1,3-thiazol-2-yl)methanol?
The IUPAC name of piperidin-4-yl(1,3-thiazol-2-yl)methanol (CID 83686260) is piperidin-4-yl(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for piperidin-4-yl(1,3-thiazol-2-yl)methanol?
The canonical SMILES for piperidin-4-yl(1,3-thiazol-2-yl)methanol is OC(c1nccs1)C1CCNCC1.
What is the InChIKey of piperidin-4-yl(1,3-thiazol-2-yl)methanol?
The InChIKey is NEFLDEFRMOXPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-8(9-11-5-6-13-9)7-1-3-10-4-2-7/h5-8,10,12H,1-4H2.
What are the key properties of piperidin-4-yl(1,3-thiazol-2-yl)methanol?
piperidin-4-yl(1,3-thiazol-2-yl)methanol has a molecular weight of 198.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 83686260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).