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

C14H20F3N3OS — CID 157039042

IUPAC1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(c3nc(C(F)(F)F)cs3)C2)CC1
InChIInChI=1S/C14H20F3N3OS/c15-14(16,17)12-9-22-13(18-12)20-6-1-10(8-20)7-19-4-2-11(21)3-5-19/h9-11,21H,1-8H2
InChIKeyIPVNKHJAGROJQJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.44
Rot. Bonds3

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

1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (PubChem CID 157039042) has the molecular formula C14H20F3N3OS and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
PubChem CID157039042
Molecular FormulaC14H20F3N3OS
Molecular Weight335.40 g/mol
Exact Mass335.13
IUPAC Name1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
SMILESOC1CCN(CC2CCN(c3nc(C(F)(F)F)cs3)C2)CC1
InChIInChI=1S/C14H20F3N3OS/c15-14(16,17)12-9-22-13(18-12)20-6-1-10(8-20)7-19-4-2-11(21)3-5-19/h9-11,21H,1-8H2
InChIKeyIPVNKHJAGROJQJ-UHFFFAOYSA-N
XLogP2.44
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol (CID 157039042) is 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is OC1CCN(CC2CCN(c3nc(C(F)(F)F)cs3)C2)CC1.
What is the InChIKey of 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
The InChIKey is IPVNKHJAGROJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3OS/c15-14(16,17)12-9-22-13(18-12)20-6-1-10(8-20)7-19-4-2-11(21)3-5-19/h9-11,21H,1-8H2.
What are the key properties of 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol?
1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol has a molecular weight of 335.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).