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

C12H21FN4 — CID 112563842

IUPAC4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCCn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C12H21FN4/c1-2-7-17-12(15-9-16-17)8-11(13)10-3-5-14-6-4-10/h9-11,14H,2-8H2,1H3
InChIKeyLAWWYJCIUJEIIH-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.57
Rot. Bonds5

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

4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 112563842) has the molecular formula C12H21FN4 and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID112563842
Molecular FormulaC12H21FN4
Molecular Weight240.33 g/mol
Exact Mass240.18
IUPAC Name4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCCn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C12H21FN4/c1-2-7-17-12(15-9-16-17)8-11(13)10-3-5-14-6-4-10/h9-11,14H,2-8H2,1H3
InChIKeyLAWWYJCIUJEIIH-UHFFFAOYSA-N
XLogP1.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 112563842) is 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine is CCCn1ncnc1CC(F)C1CCNCC1.
What is the InChIKey of 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is LAWWYJCIUJEIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN4/c1-2-7-17-12(15-9-16-17)8-11(13)10-3-5-14-6-4-10/h9-11,14H,2-8H2,1H3.
What are the key properties of 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine?
4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 240.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-fluoro-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 112563842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).