1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol

C12H17F3N2OS — CID 75509426

IUPAC1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol
SMILESCC(O)(C1CCN(Cc2cncs2)CC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2OS/c1-11(18,12(13,14)15)9-2-4-17(5-3-9)7-10-6-16-8-19-10/h6,8-9,18H,2-5,7H2,1H3
InChIKeyPZKFYUQXSJYXNA-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.67
Rot. Bonds3

About 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol

1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol (PubChem CID 75509426) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol
PubChem CID75509426
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol
SMILESCC(O)(C1CCN(Cc2cncs2)CC1)C(F)(F)F
InChIInChI=1S/C12H17F3N2OS/c1-11(18,12(13,14)15)9-2-4-17(5-3-9)7-10-6-16-8-19-10/h6,8-9,18H,2-5,7H2,1H3
InChIKeyPZKFYUQXSJYXNA-UHFFFAOYSA-N
XLogP2.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol (CID 75509426) is 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol is CC(O)(C1CCN(Cc2cncs2)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol?
The InChIKey is PZKFYUQXSJYXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-11(18,12(13,14)15)9-2-4-17(5-3-9)7-10-6-16-8-19-10/h6,8-9,18H,2-5,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol?
1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol has a molecular weight of 294.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 75509426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).