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

C10H17FN4 — CID 112563676

IUPAC4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C10H17FN4/c1-15-10(13-7-14-15)6-9(11)8-2-4-12-5-3-8/h7-9,12H,2-6H2,1H3
InChIKeyMNSRNWOVWWSFGA-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.70
Rot. Bonds3

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

4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 112563676) has the molecular formula C10H17FN4 and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID112563676
Molecular FormulaC10H17FN4
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCn1ncnc1CC(F)C1CCNCC1
InChIInChI=1S/C10H17FN4/c1-15-10(13-7-14-15)6-9(11)8-2-4-12-5-3-8/h7-9,12H,2-6H2,1H3
InChIKeyMNSRNWOVWWSFGA-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 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 112563676) is 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine is Cn1ncnc1CC(F)C1CCNCC1.
What is the InChIKey of 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is MNSRNWOVWWSFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4/c1-15-10(13-7-14-15)6-9(11)8-2-4-12-5-3-8/h7-9,12H,2-6H2,1H3.
What are the key properties of 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-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 4-[1-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 112563676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).