3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine

C10H17FN4 — CID 107061532

IUPAC3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine
SMILESCn1cc(CC(F)C2CCCNC2)nn1
InChIInChI=1S/C10H17FN4/c1-15-7-9(13-14-15)5-10(11)8-3-2-4-12-6-8/h7-8,10,12H,2-6H2,1H3
InChIKeyOEWXIZURSJIMAD-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.70
Rot. Bonds3

About 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine

3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine (PubChem CID 107061532) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine
PubChem CID107061532
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine
SMILESCn1cc(CC(F)C2CCCNC2)nn1
InChIInChI=1S/C10H17FN4/c1-15-7-9(13-14-15)5-10(11)8-3-2-4-12-6-8/h7-8,10,12H,2-6H2,1H3
InChIKeyOEWXIZURSJIMAD-UHFFFAOYSA-N
XLogP0.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine?
The IUPAC name of 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine (CID 107061532) is 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine?
The canonical SMILES for 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine is Cn1cc(CC(F)C2CCCNC2)nn1.
What is the InChIKey of 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine?
The InChIKey is OEWXIZURSJIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-15-7-9(13-14-15)5-10(11)8-3-2-4-12-6-8/h7-8,10,12H,2-6H2,1H3.
What are the key properties of 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine?
3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine has a molecular weight of 212.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-2-(1-methyltriazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 107061532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).