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

C11H19FN4 — CID 112563780

IUPAC4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine
SMILESCCn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C11H19FN4/c1-2-16-11(14-8-15-16)7-10(12)9-3-5-13-6-4-9/h8-10,13H,2-7H2,1H3
InChIKeyIHWVYIAQOYCLHB-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.18
Rot. Bonds4

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

4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine (PubChem CID 112563780) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine
PubChem CID112563780
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine
SMILESCCn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C11H19FN4/c1-2-16-11(14-8-15-16)7-10(12)9-3-5-13-6-4-9/h8-10,13H,2-7H2,1H3
InChIKeyIHWVYIAQOYCLHB-UHFFFAOYSA-N
XLogP1.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine (CID 112563780) is 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine is CCn1ncnc1CC(F)C1CCNCC1.
What is the InChIKey of 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine?
The InChIKey is IHWVYIAQOYCLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN4/c1-2-16-11(14-8-15-16)7-10(12)9-3-5-13-6-4-9/h8-10,13H,2-7H2,1H3.
What are the key properties of 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine?
4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine has a molecular weight of 226.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112563780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).