4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine

C17H23FN4O — CID 53192497

IUPAC4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCCn1cnnc1C1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O/c1-2-22-13-19-20-17(22)14-7-9-21(10-8-14)11-12-23-16-5-3-15(18)4-6-16/h3-6,13-14H,2,7-12H2,1H3
InChIKeyIUMDEXAEDPCECB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.70
Rot. Bonds6

About 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine

4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine (PubChem CID 53192497) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
PubChem CID53192497
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine
SMILESCCn1cnnc1C1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN4O/c1-2-22-13-19-20-17(22)14-7-9-21(10-8-14)11-12-23-16-5-3-15(18)4-6-16/h3-6,13-14H,2,7-12H2,1H3
InChIKeyIUMDEXAEDPCECB-UHFFFAOYSA-N
XLogP2.70
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]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-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
The IUPAC name of 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine (CID 53192497) is 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine.
What is the SMILES notation for 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
The canonical SMILES for 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine is CCn1cnnc1C1CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
The InChIKey is IUMDEXAEDPCECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-2-22-13-19-20-17(22)14-7-9-21(10-8-14)11-12-23-16-5-3-15(18)4-6-16/h3-6,13-14H,2,7-12H2,1H3.
What are the key properties of 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine?
4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine has a molecular weight of 318.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-1,2,4-triazol-3-yl)-1-[2-(4-fluorophenoxy)ethyl]piperidine is sourced from PubChem (CID 53192497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).