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

C15H19FN4O — CID 28822565

IUPAC4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESFc1ccc(OC2CCN(CCn3cncn3)CC2)cc1
InChIInChI=1S/C15H19FN4O/c16-13-1-3-14(4-2-13)21-15-5-7-19(8-6-15)9-10-20-12-17-11-18-20/h1-4,11-12,15H,5-10H2
InChIKeyVUGPBYJHRVEGIS-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.96
Rot. Bonds5

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

4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (PubChem CID 28822565) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
PubChem CID28822565
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
SMILESFc1ccc(OC2CCN(CCn3cncn3)CC2)cc1
InChIInChI=1S/C15H19FN4O/c16-13-1-3-14(4-2-13)21-15-5-7-19(8-6-15)9-10-20-12-17-11-18-20/h1-4,11-12,15H,5-10H2
InChIKeyVUGPBYJHRVEGIS-UHFFFAOYSA-N
XLogP1.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine (CID 28822565) is 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is Fc1ccc(OC2CCN(CCn3cncn3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
The InChIKey is VUGPBYJHRVEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-13-1-3-14(4-2-13)21-15-5-7-19(8-6-15)9-10-20-12-17-11-18-20/h1-4,11-12,15H,5-10H2.
What are the key properties of 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine?
4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine has a molecular weight of 290.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 28822565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).