4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride

C15H20ClFN4O3S — CID 68727407

IUPAC4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCc2cnn(C3CCNCC3)n2)c(F)c1.Cl
InChIInChI=1S/C15H19FN4O3S.ClH/c1-24(21,22)13-2-3-15(14(16)8-13)23-10-11-9-18-20(19-11)12-4-6-17-7-5-12;/h2-3,8-9,12,17H,4-7,10H2,1H3;1H
InChIKeyCIVKJCXTFLHWKE-UHFFFAOYSA-N
MW390.87 g/mol
LogP1.75
Rot. Bonds5

About 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride

4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride (PubChem CID 68727407) has the molecular formula C15H20ClFN4O3S and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride
PubChem CID68727407
Molecular FormulaC15H20ClFN4O3S
Molecular Weight390.87 g/mol
Exact Mass390.09
IUPAC Name4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride
SMILESCS(=O)(=O)c1ccc(OCc2cnn(C3CCNCC3)n2)c(F)c1.Cl
InChIInChI=1S/C15H19FN4O3S.ClH/c1-24(21,22)13-2-3-15(14(16)8-13)23-10-11-9-18-20(19-11)12-4-6-17-7-5-12;/h2-3,8-9,12,17H,4-7,10H2,1H3;1H
InChIKeyCIVKJCXTFLHWKE-UHFFFAOYSA-N
XLogP1.75
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride 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 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride?
The IUPAC name of 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride (CID 68727407) is 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride is CS(=O)(=O)c1ccc(OCc2cnn(C3CCNCC3)n2)c(F)c1.Cl.
What is the InChIKey of 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride?
The InChIKey is CIVKJCXTFLHWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S.ClH/c1-24(21,22)13-2-3-15(14(16)8-13)23-10-11-9-18-20(19-11)12-4-6-17-7-5-12;/h2-3,8-9,12,17H,4-7,10H2,1H3;1H.
What are the key properties of 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride?
4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluoro-4-methylsulfonylphenoxy)methyl]triazol-2-yl]piperidine;hydrochloride is sourced from PubChem (CID 68727407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).