4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine

C14H16ClFN4 — CID 59347449

IUPAC4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine
SMILESCc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN4/c1-9-18-19-14(10-4-6-17-7-5-10)20(9)13-3-2-11(15)8-12(13)16/h2-3,8,10,17H,4-7H2,1H3
InChIKeyUGFQLVISQNKANX-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.84
Rot. Bonds2

About 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine

4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine (PubChem CID 59347449) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine
PubChem CID59347449
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine
SMILESCc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1F
InChIInChI=1S/C14H16ClFN4/c1-9-18-19-14(10-4-6-17-7-5-10)20(9)13-3-2-11(15)8-12(13)16/h2-3,8,10,17H,4-7H2,1H3
InChIKeyUGFQLVISQNKANX-UHFFFAOYSA-N
XLogP2.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine 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-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine (CID 59347449) is 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine is Cc1nnc(C2CCNCC2)n1-c1ccc(Cl)cc1F.
What is the InChIKey of 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine?
The InChIKey is UGFQLVISQNKANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-9-18-19-14(10-4-6-17-7-5-10)20(9)13-3-2-11(15)8-12(13)16/h2-3,8,10,17H,4-7H2,1H3.
What are the key properties of 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine?
4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine has a molecular weight of 294.76 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 59347449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).