4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol

C10H13F3N2OS — CID 133446751

IUPAC4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
SMILESCC1CCN(c2nc(C(F)(F)F)cs2)CC1O
InChIInChI=1S/C10H13F3N2OS/c1-6-2-3-15(4-7(6)16)9-14-8(5-17-9)10(11,12)13/h5-7,16H,2-4H2,1H3
InChIKeyXUZRKKHRZCUPJX-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.37
Rot. Bonds1

About 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol

4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol (PubChem CID 133446751) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
PubChem CID133446751
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
SMILESCC1CCN(c2nc(C(F)(F)F)cs2)CC1O
InChIInChI=1S/C10H13F3N2OS/c1-6-2-3-15(4-7(6)16)9-14-8(5-17-9)10(11,12)13/h5-7,16H,2-4H2,1H3
InChIKeyXUZRKKHRZCUPJX-UHFFFAOYSA-N
XLogP2.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol (CID 133446751) is 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol is CC1CCN(c2nc(C(F)(F)F)cs2)CC1O.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
The InChIKey is XUZRKKHRZCUPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-6-2-3-15(4-7(6)16)9-14-8(5-17-9)10(11,12)13/h5-7,16H,2-4H2,1H3.
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol?
4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol has a molecular weight of 266.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol is sourced from PubChem (CID 133446751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).