4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine

C8H13FN4 — CID 84659622

IUPAC4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFC1(Cn2cncn2)CCNCC1
InChIInChI=1S/C8H13FN4/c9-8(1-3-10-4-2-8)5-13-7-11-6-12-13/h6-7,10H,1-5H2
InChIKeyQGCNEODQCCDUKF-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.37
Rot. Bonds2

About 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine

4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 84659622) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID84659622
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFC1(Cn2cncn2)CCNCC1
InChIInChI=1S/C8H13FN4/c9-8(1-3-10-4-2-8)5-13-7-11-6-12-13/h6-7,10H,1-5H2
InChIKeyQGCNEODQCCDUKF-UHFFFAOYSA-N
XLogP0.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine (CID 84659622) is 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine is FC1(Cn2cncn2)CCNCC1.
What is the InChIKey of 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is QGCNEODQCCDUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c9-8(1-3-10-4-2-8)5-13-7-11-6-12-13/h6-7,10H,1-5H2.
What are the key properties of 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine?
4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 184.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 84659622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).