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

C9H15FN4 — CID 84668324

IUPAC3-[3-(2-fluoroethyl)triazol-4-yl]piperidine
SMILESFCCn1nncc1C1CCCNC1
InChIInChI=1S/C9H15FN4/c10-3-5-14-9(7-12-13-14)8-2-1-4-11-6-8/h7-8,11H,1-6H2
InChIKeyWTQVJVDQFXXONT-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.71
Rot. Bonds3

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

3-[3-(2-fluoroethyl)triazol-4-yl]piperidine (PubChem CID 84668324) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(2-fluoroethyl)triazol-4-yl]piperidine
PubChem CID84668324
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name3-[3-(2-fluoroethyl)triazol-4-yl]piperidine
SMILESFCCn1nncc1C1CCCNC1
InChIInChI=1S/C9H15FN4/c10-3-5-14-9(7-12-13-14)8-2-1-4-11-6-8/h7-8,11H,1-6H2
InChIKeyWTQVJVDQFXXONT-UHFFFAOYSA-N
XLogP0.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cycloheptyltriazol-1-yl)ethanamine
CID 115026055
3-(5-cyclohexyltriazol-1-yl)propan-1-amine
CID 115026054
3-(5-cyclobutyltriazol-1-yl)propan-1-ol
CID 115015905
3-(5-cyclohexyltriazol-1-yl)propan-1-ol
CID 115026567
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
3-(2-benzylpyrazol-3-yl)piperidine
CID 83392632
(3R)-3-(2H-triazol-4-yl)piperidine;hydrochloride
CID 170900819
3-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]piperidine
CID 114706511

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine?
The IUPAC name of 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine (CID 84668324) is 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine is FCCn1nncc1C1CCCNC1.
What is the InChIKey of 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine?
The InChIKey is WTQVJVDQFXXONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c10-3-5-14-9(7-12-13-14)8-2-1-4-11-6-8/h7-8,11H,1-6H2.
What are the key properties of 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine?
3-[3-(2-fluoroethyl)triazol-4-yl]piperidine has a molecular weight of 198.24 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoroethyl)triazol-4-yl]piperidine is sourced from PubChem (CID 84668324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).