4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid

C15H15F3N4O3 — CID 155250318

IUPAC4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1OC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)9-1-3-10(4-2-9)22-7-5-11(6-8-22)25-13-12(14(23)24)19-21-20-13/h1-4,11H,5-8H2,(H,23,24)(H,19,20,21)
InChIKeyOAODBTVRZMXHBF-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.57
Rot. Bonds4

About 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid

4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid (PubChem CID 155250318) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid
PubChem CID155250318
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1OC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)9-1-3-10(4-2-9)22-7-5-11(6-8-22)25-13-12(14(23)24)19-21-20-13/h1-4,11H,5-8H2,(H,23,24)(H,19,20,21)
InChIKeyOAODBTVRZMXHBF-UHFFFAOYSA-N
XLogP2.57
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(4-pyrrolidin-1-ylphenyl)cyclohexyl]oxy-1H-triazole-5-carboxylic acid
CID 147555845
(2,2,2-trifluoroacetyl) 4-[1-(4-chlorophenyl)piperidin-4-yl]oxy-1H-triazole-5-carboxylate
CID 155250666
4-[4-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155250694
(2,2,2-trifluoroacetyl) 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-1H-triazole-5-carboxylate
CID 155250227
4-[1-[5-chloro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155250337
5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1-benzofuran-2-carboxamide
CID 143807330
4-[4-[2-chloro-5-(trifluoromethoxy)phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylic acid
CID 155250290
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]phenol
CID 70874734
4-[4-[4-(4,4-difluoropiperidin-1-yl)phenyl]phenoxy]-1H-triazole-5-carboxylic acid
CID 155250421
2-piperidin-4-yl-1-[2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-4-pyridinyl]ethanone
CID 58456861
N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 154035549

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid?
The IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid (CID 155250318) is 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid is O=C(O)c1[nH]nnc1OC1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid?
The InChIKey is OAODBTVRZMXHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c16-15(17,18)9-1-3-10(4-2-9)22-7-5-11(6-8-22)25-13-12(14(23)24)19-21-20-13/h1-4,11H,5-8H2,(H,23,24)(H,19,20,21).
What are the key properties of 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid?
4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid has a molecular weight of 356.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1H-triazole-5-carboxylic acid is sourced from PubChem (CID 155250318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).