4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol

C11H17F3N4OS — CID 167975302

IUPAC4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCN(C)CC1(O)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4OS/c1-17(2)7-10(19)3-5-18(6-4-10)9-15-8(16-20-9)11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyLEIKSDXQGXAFPM-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.45
Rot. Bonds3

About 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol

4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (PubChem CID 167975302) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
PubChem CID167975302
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC Name4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCN(C)CC1(O)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4OS/c1-17(2)7-10(19)3-5-18(6-4-10)9-15-8(16-20-9)11(12,13)14/h19H,3-7H2,1-2H3
InChIKeyLEIKSDXQGXAFPM-UHFFFAOYSA-N
XLogP1.45
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (CID 167975302) is 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is CN(C)CC1(O)CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The InChIKey is LEIKSDXQGXAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-17(2)7-10(19)3-5-18(6-4-10)9-15-8(16-20-9)11(12,13)14/h19H,3-7H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol has a molecular weight of 310.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 167975302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).